N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide

C14H21N5O2 — CID 118796064

IUPACN-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H21N5O2/c1-9-12(17-18-16-9)13(20)15-8-10-4-6-19(7-5-10)14(21)11-2-3-11/h10-11H,2-8H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyVSRCKPYOXZHYMV-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.49
Rot. Bonds4

About N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide

N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 118796064) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID118796064
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H21N5O2/c1-9-12(17-18-16-9)13(20)15-8-10-4-6-19(7-5-10)14(21)11-2-3-11/h10-11H,2-8H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyVSRCKPYOXZHYMV-UHFFFAOYSA-N
XLogP0.49
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 128985948
5-methyl-N-[(3R,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535806
5-methyl-N-[(3S,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535807
5-methyl-N-[(3R,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535808
5-methyl-N-[(3S,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535809
2-ethyl-5-methyl-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]triazole-4-carboxamide
CID 137976020
(2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 171674790
N-[(1-isobutylpiperidin-4-yl)methyl]-5-methyl-2H-1,2,3-triazole-4-carboxamide
CID 118773788
1-methyl-4-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72877356
N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-5-methyl-2H-1,2,3-triazole-4-carboxamide hydrochloride
CID 72926108
5-Methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide
CID 82202751
(5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
CID 82505407

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide (CID 118796064) is N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NCC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is VSRCKPYOXZHYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-12(17-18-16-9)13(20)15-8-10-4-6-19(7-5-10)14(21)11-2-3-11/h10-11H,2-8H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 118796064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).