(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide

C18H25N7O2 — CID 125166749

IUPAC(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)NCCN3CCC[C@@H](C(N)=O)C3)cc2)n[nH]1
InChIInChI=1S/C18H25N7O2/c1-12-21-17(24-23-12)13-4-6-15(7-5-13)22-18(27)20-8-10-25-9-2-3-14(11-25)16(19)26/h4-7,14H,2-3,8-11H2,1H3,(H2,19,26)(H2,20,22,27)(H,21,23,24)/t14-/m1/s1
InChIKeyKYKDTFRJGAHANM-CQSZACIVSA-N
MW371.45 g/mol
LogP1.10
Rot. Bonds6

About (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide

(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide (PubChem CID 125166749) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
PubChem CID125166749
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)NCCN3CCC[C@@H](C(N)=O)C3)cc2)n[nH]1
InChIInChI=1S/C18H25N7O2/c1-12-21-17(24-23-12)13-4-6-15(7-5-13)22-18(27)20-8-10-25-9-2-3-14(11-25)16(19)26/h4-7,14H,2-3,8-11H2,1H3,(H2,19,26)(H2,20,22,27)(H,21,23,24)/t14-/m1/s1
InChIKeyKYKDTFRJGAHANM-CQSZACIVSA-N
XLogP1.10
TPSA129.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

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N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
(3S)-1-[2-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
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CID 131897537
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CID 72876865
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]urea
CID 125156208
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 119311516
9-amino-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988110
1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide (CID 125166749) is (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide is Cc1nc(-c2ccc(NC(=O)NCCN3CCC[C@@H](C(N)=O)C3)cc2)n[nH]1.
What is the InChIKey of (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
The InChIKey is KYKDTFRJGAHANM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-12-21-17(24-23-12)13-4-6-15(7-5-13)22-18(27)20-8-10-25-9-2-3-14(11-25)16(19)26/h4-7,14H,2-3,8-11H2,1H3,(H2,19,26)(H2,20,22,27)(H,21,23,24)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 125166749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).