N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide

C12H17N5O2 — CID 125159540

IUPACN-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
SMILESO=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1cn[nH]n1
InChIInChI=1S/C12H17N5O2/c18-11(10-6-13-16-15-10)14-9-2-1-5-17(7-9)12(19)8-3-4-8/h6,8-9H,1-5,7H2,(H,14,18)(H,13,15,16)/t9-/m0/s1
InChIKeyDEGAXDXOHSMMCH-VIFPVBQESA-N
MW263.30 g/mol
LogP-0.06
Rot. Bonds3

About N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide

N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide (PubChem CID 125159540) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
PubChem CID125159540
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
SMILESO=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1cn[nH]n1
InChIInChI=1S/C12H17N5O2/c18-11(10-6-13-16-15-10)14-9-2-1-5-17(7-9)12(19)8-3-4-8/h6,8-9H,1-5,7H2,(H,14,18)(H,13,15,16)/t9-/m0/s1
InChIKeyDEGAXDXOHSMMCH-VIFPVBQESA-N
XLogP-0.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988
N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732753
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112686233
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide (CID 125159540) is N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide is O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1cn[nH]n1.
What is the InChIKey of N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
The InChIKey is DEGAXDXOHSMMCH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11(10-6-13-16-15-10)14-9-2-1-5-17(7-9)12(19)8-3-4-8/h6,8-9H,1-5,7H2,(H,14,18)(H,13,15,16)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 125159540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).