5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H24N4O3 — CID 96514055

IUPAC5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)[nH]n1
InChIInChI=1S/C16H24N4O3/c17-16(22)14-9-13(18-19-14)11-3-1-7-20(10-11)15(21)6-5-12-4-2-8-23-12/h9,11-12H,1-8,10H2,(H2,17,22)(H,18,19)/t11-,12+/m0/s1
InChIKeyPXOSBDNVYHNEDP-NWDGAFQWSA-N
MW320.39 g/mol
LogP1.17
Rot. Bonds5

About 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514055) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514055
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)[nH]n1
InChIInChI=1S/C16H24N4O3/c17-16(22)14-9-13(18-19-14)11-3-1-7-20(10-11)15(21)6-5-12-4-2-8-23-12/h9,11-12H,1-8,10H2,(H2,17,22)(H,18,19)/t11-,12+/m0/s1
InChIKeyPXOSBDNVYHNEDP-NWDGAFQWSA-N
XLogP1.17
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[3-(oxolan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871692
5-[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514274
5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514090
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
3-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137182018
5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776
5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514288
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
6,8-dimethyl-3-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-2H-isoquinolin-1-one
CID 95811054
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514055) is 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)[nH]n1.
What is the InChIKey of 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is PXOSBDNVYHNEDP-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-16(22)14-9-13(18-19-14)11-3-1-7-20(10-11)15(21)6-5-12-4-2-8-23-12/h9,11-12H,1-8,10H2,(H2,17,22)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).