(3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C21H26FN5O2 — CID 97343407

IUPAC(3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)C1CCCC1
InChIInChI=1S/C21H26FN5O2/c22-16-8-3-9-17(11-16)24-21(29)27-10-4-7-15(13-27)19-18(12-23-26-19)25-20(28)14-5-1-2-6-14/h3,8-9,11-12,14-15H,1-2,4-7,10,13H2,(H,23,26)(H,24,29)(H,25,28)/t15-/m0/s1
InChIKeyBSMKYZFGKFAUBK-HNNXBMFYSA-N
MW399.47 g/mol
LogP4.09
Rot. Bonds4

About (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

(3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 97343407) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID97343407
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name(3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)C1CCCC1
InChIInChI=1S/C21H26FN5O2/c22-16-8-3-9-17(11-16)24-21(29)27-10-4-7-15(13-27)19-18(12-23-26-19)25-20(28)14-5-1-2-6-14/h3,8-9,11-12,14-15H,1-2,4-7,10,13H2,(H,23,26)(H,24,29)(H,25,28)/t15-/m0/s1
InChIKeyBSMKYZFGKFAUBK-HNNXBMFYSA-N
XLogP4.09
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 97343407) is (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)C1CCCC1.
What is the InChIKey of (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is BSMKYZFGKFAUBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c22-16-8-3-9-17(11-16)24-21(29)27-10-4-7-15(13-27)19-18(12-23-26-19)25-20(28)14-5-1-2-6-14/h3,8-9,11-12,14-15H,1-2,4-7,10,13H2,(H,23,26)(H,24,29)(H,25,28)/t15-/m0/s1.
What are the key properties of (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
(3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(cyclopentanecarbonylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97343407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).