N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide

C20H29N7O — CID 126429262

IUPACN-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C20H29N7O/c28-20(27-13-11-26(12-14-27)19-22-16-23-24-19)21-15-18(17-7-3-1-4-8-17)25-9-5-2-6-10-25/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H,21,28)(H,22,23,24)/t18-/m0/s1
InChIKeyYFXIITJSFSXOCG-SFHVURJKSA-N
MW383.50 g/mol
LogP1.86
Rot. Bonds5

About N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide

N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide (PubChem CID 126429262) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide
PubChem CID126429262
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C20H29N7O/c28-20(27-13-11-26(12-14-27)19-22-16-23-24-19)21-15-18(17-7-3-1-4-8-17)25-9-5-2-6-10-25/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H,21,28)(H,22,23,24)/t18-/m0/s1
InChIKeyYFXIITJSFSXOCG-SFHVURJKSA-N
XLogP1.86
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 126432703
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CID 122570918
4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 78834618
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97148333
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
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N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide (CID 126429262) is N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide is O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide?
The InChIKey is YFXIITJSFSXOCG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N7O/c28-20(27-13-11-26(12-14-27)19-22-16-23-24-19)21-15-18(17-7-3-1-4-8-17)25-9-5-2-6-10-25/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H,21,28)(H,22,23,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide?
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126429262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).