4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C18H23N5O — CID 45271593

IUPAC4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-22-12-17(20-21-22)14-7-9-23(10-8-14)18(24)19-16-11-15(16)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,24)
InChIKeyRQDRWTLKQRNDSG-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.26
Rot. Bonds3

About 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45271593) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45271593
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-22-12-17(20-21-22)14-7-9-23(10-8-14)18(24)19-16-11-15(16)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,24)
InChIKeyRQDRWTLKQRNDSG-UHFFFAOYSA-N
XLogP2.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-bis(4-fluorophenyl)propyl)-3-(pyrazin-2-yl)pyrrolidine-1-carboxamide
CID 46891216
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-(2-phenylcyclopropyl)-4-(1H-1,2,3-triazol-1-yl)piperidine-1-carboxamide
CID 45269087
N-(2-phenylcyclopropyl)-4-(1H-pyrazol-1-yl)piperidine-1-carboxamide
CID 45273373
3-{[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]methyl}-N-isopropyl-1-piperidinecarboxamide
CID 45194281
3-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-[2-(4-fluorophenyl)ethyl]-1-piperidinecarboxamide
CID 45214614
N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46994406
N-[cyclopropyl-(2-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
CID 71918690
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
CID 71918911
trans-(1R,2S)-2-(3,4-difluorophenyl)-N-[[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]methyl]cyclopropan-1-amine;hydrochloride
CID 177649368
4-(4-benzyl-1H-1,2,3-triazol-1-yl)-N-(4-fluorophenyl)-1-piperidinecarboxamide
CID 31074756

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45271593) is 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is Cn1cc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)nn1.
What is the InChIKey of 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is RQDRWTLKQRNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-12-17(20-21-22)14-7-9-23(10-8-14)18(24)19-16-11-15(16)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,24).
What are the key properties of 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltriazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45271593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).