tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate

C25H41N5O3 — CID 46280589

IUPACtert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate
SMILESCn1ncc(C(=O)NCC2CCN(C3CCCC3)C2)c1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H41N5O3/c1-25(2,3)33-24(32)29-13-10-19(11-14-29)22-21(16-27-28(22)4)23(31)26-15-18-9-12-30(17-18)20-7-5-6-8-20/h16,18-20H,5-15,17H2,1-4H3,(H,26,31)
InChIKeyAILVANUENDQCIY-UHFFFAOYSA-N
MW459.64 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate (PubChem CID 46280589) has the molecular formula C25H41N5O3 and a molecular weight of 459.64 g/mol. Its IUPAC name is tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate
PubChem CID46280589
Molecular FormulaC25H41N5O3
Molecular Weight459.64 g/mol
Exact Mass459.32
IUPAC Nametert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate
SMILESCn1ncc(C(=O)NCC2CCN(C3CCCC3)C2)c1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H41N5O3/c1-25(2,3)33-24(32)29-13-10-19(11-14-29)22-21(16-27-28(22)4)23(31)26-15-18-9-12-30(17-18)20-7-5-6-8-20/h16,18-20H,5-15,17H2,1-4H3,(H,26,31)
InChIKeyAILVANUENDQCIY-UHFFFAOYSA-N
XLogP3.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methylcarbamoyl]-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 92504831
tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-1-methylpyrazol-5-yl]piperidine-1-carboxylate
CID 46280574
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
tert-butyl 4-[1-tert-butyl-4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methylcarbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46280448
tert-butyl 4-[[(2-chloropyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66569724
tert-butyl 4-[1-(2-chlorophenyl)-4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methylcarbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46280427
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 34178457
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[1-(2-chlorophenyl)-4-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46280421
tert-butyl 4-[4-(2-methoxyethylcarbamoyl)-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280959
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate (CID 46280589) is tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate is Cn1ncc(C(=O)NCC2CCN(C3CCCC3)C2)c1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate?
The InChIKey is AILVANUENDQCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O3/c1-25(2,3)33-24(32)29-13-10-19(11-14-29)22-21(16-27-28(22)4)23(31)26-15-18-9-12-30(17-18)20-7-5-6-8-20/h16,18-20H,5-15,17H2,1-4H3,(H,26,31).
What are the key properties of tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate has a molecular weight of 459.64 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-1-methylpyrazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46280589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).