tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate

C23H32N4O4 — CID 97211702

IUPACtert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate
SMILESCOc1ccc(-n2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1
InChIInChI=1S/C23H32N4O4/c1-16(17-7-6-13-26(15-17)22(29)31-23(2,3)4)24-21(28)20-12-14-27(25-20)18-8-10-19(30-5)11-9-18/h8-12,14,16-17H,6-7,13,15H2,1-5H3,(H,24,28)/t16-,17+/m0/s1
InChIKeyVKKNHQYVQHYCQE-DLBZAZTESA-N
MW428.53 g/mol
LogP3.65
Rot. Bonds5

About tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 97211702) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate
PubChem CID97211702
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Nametert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate
SMILESCOc1ccc(-n2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1
InChIInChI=1S/C23H32N4O4/c1-16(17-7-6-13-26(15-17)22(29)31-23(2,3)4)24-21(28)20-12-14-27(25-20)18-8-10-19(30-5)11-9-18/h8-12,14,16-17H,6-7,13,15H2,1-5H3,(H,24,28)/t16-,17+/m0/s1
InChIKeyVKKNHQYVQHYCQE-DLBZAZTESA-N
XLogP3.65
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 73304645
tert-butyl (3S)-3-[(1S)-1-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methylamino]ethyl]piperidine-1-carboxylate
CID 97341204
tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate
CID 97316230
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 111429739
tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate
CID 82710558
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
(2S)-2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361697

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate (CID 97211702) is tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate is COc1ccc(-n2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1.
What is the InChIKey of tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is VKKNHQYVQHYCQE-DLBZAZTESA-N. The full InChI is InChI=1S/C23H32N4O4/c1-16(17-7-6-13-26(15-17)22(29)31-23(2,3)4)24-21(28)20-12-14-27(25-20)18-8-10-19(30-5)11-9-18/h8-12,14,16-17H,6-7,13,15H2,1-5H3,(H,24,28)/t16-,17+/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 428.53 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1S)-1-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 97211702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).