tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate

C32H54N4O4 — CID 71069077

IUPACtert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
SMILESCC[C@H](C)CCC1CCC1NC(=O)c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1OCC1CCCCC1
InChIInChI=1S/C32H54N4O4/c1-6-23(2)12-13-26-14-15-28(26)34-29(37)27-20-33-36(30(27)39-22-25-10-8-7-9-11-25)21-24-16-18-35(19-17-24)31(38)40-32(3,4)5/h20,23-26,28H,6-19,21-22H2,1-5H3,(H,34,37)/t23-,26?,28?/m0/s1
InChIKeyUMYJFUYCWSHDEE-CJFYOIIMSA-N
MW558.81 g/mol
LogP6.82
Rot. Bonds11

About tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 71069077) has the molecular formula C32H54N4O4 and a molecular weight of 558.81 g/mol. Its IUPAC name is tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
PubChem CID71069077
Molecular FormulaC32H54N4O4
Molecular Weight558.81 g/mol
Exact Mass558.41
IUPAC Nametert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
SMILESCC[C@H](C)CCC1CCC1NC(=O)c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1OCC1CCCCC1
InChIInChI=1S/C32H54N4O4/c1-6-23(2)12-13-26-14-15-28(26)34-29(37)27-20-33-36(30(27)39-22-25-10-8-7-9-11-25)21-24-16-18-35(19-17-24)31(38)40-32(3,4)5/h20,23-26,28H,6-19,21-22H2,1-5H3,(H,34,37)/t23-,26?,28?/m0/s1
InChIKeyUMYJFUYCWSHDEE-CJFYOIIMSA-N
XLogP6.82
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(4-amino-1-methylpyrazol-5-yl)oxymethyl]piperidine-1-carboxylate
CID 58464811
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
N-(2-adamantyl)-5-(cyclohexylmethoxy)-1-[2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]ethyl]pyrazole-4-carboxamide;hydrochloride
CID 159778466
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-4-propan-2-ylbenzoic acid
CID 165416509
tert-butyl 4-(piperidin-1-yloxymethyl)piperidine-1-carboxylate
CID 175363722
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
propan-2-yl 4-[2-[4-(2-tricyclo[3.3.1.03,7]nonanylcarbamoyl)-5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethyl]piperidine-1-carboxylate
CID 162564496
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819
tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid
CID 67802338
tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate
CID 171838639

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate (CID 71069077) is tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate is CC[C@H](C)CCC1CCC1NC(=O)c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1OCC1CCCCC1.
What is the InChIKey of tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is UMYJFUYCWSHDEE-CJFYOIIMSA-N. The full InChI is InChI=1S/C32H54N4O4/c1-6-23(2)12-13-26-14-15-28(26)34-29(37)27-20-33-36(30(27)39-22-25-10-8-7-9-11-25)21-24-16-18-35(19-17-24)31(38)40-32(3,4)5/h20,23-26,28H,6-19,21-22H2,1-5H3,(H,34,37)/t23-,26?,28?/m0/s1.
What are the key properties of tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 558.81 g/mol, XLogP of 6.82, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(cyclohexylmethoxy)-4-[[2-[(3S)-3-methylpentyl]cyclobutyl]carbamoyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71069077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).