N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide

C21H25N5O2 — CID 26892299

IUPACN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C21H25N5O2/c1-16-20(24-26(23-16)17-9-4-2-5-10-17)21(27)22-15-18(19-11-8-14-28-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeySGLVHKAXSPLWRZ-GOSISDBHSA-N
MW379.46 g/mol
LogP3.13
Rot. Bonds6

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 26892299) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID26892299
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C21H25N5O2/c1-16-20(24-26(23-16)17-9-4-2-5-10-17)21(27)22-15-18(19-11-8-14-28-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeySGLVHKAXSPLWRZ-GOSISDBHSA-N
XLogP3.13
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2494653
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 34668497
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41117308
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-2-phenylpropanamide
CID 37171547

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 26892299) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is SGLVHKAXSPLWRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-20(24-26(23-16)17-9-4-2-5-10-17)21(27)22-15-18(19-11-8-14-28-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,22,27)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 26892299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).