N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

C19H31N5O3S — CID 97344701

IUPACN-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)C1CCCC1
InChIInChI=1S/C19H31N5O3S/c25-19(15-7-2-3-8-15)21-17-13-20-22-18(17)16-9-6-12-24(14-16)28(26,27)23-10-4-1-5-11-23/h13,15-16H,1-12,14H2,(H,20,22)(H,21,25)/t16-/m1/s1
InChIKeyLLONGCGCHCXCNN-MRXNPFEDSA-N
MW409.56 g/mol
LogP2.45
Rot. Bonds5

About N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 97344701) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID97344701
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC NameN-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)C1CCCC1
InChIInChI=1S/C19H31N5O3S/c25-19(15-7-2-3-8-15)21-17-13-20-22-18(17)16-9-6-12-24(14-16)28(26,27)23-10-4-1-5-11-23/h13,15-16H,1-12,14H2,(H,20,22)(H,21,25)/t16-/m1/s1
InChIKeyLLONGCGCHCXCNN-MRXNPFEDSA-N
XLogP2.45
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344709
N-(5-cyclopropyl-1H-pyrazol-4-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126834655
N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343262
N-[5-[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343980
N-[5-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343986
N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 75474232
N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 166409296
N-[5-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 136521649
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343982
1-[5-[(3R)-1-butylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 97344690
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474634

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 97344701) is N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)C1CCCC1.
What is the InChIKey of N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is LLONGCGCHCXCNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N5O3S/c25-19(15-7-2-3-8-15)21-17-13-20-22-18(17)16-9-6-12-24(14-16)28(26,27)23-10-4-1-5-11-23/h13,15-16H,1-12,14H2,(H,20,22)(H,21,25)/t16-/m1/s1.
What are the key properties of N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 409.56 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 97344701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).