1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide

C23H26ClN7O2 — CID 153287122

IUPAC1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide
SMILESC[C@@H](C(=O)NCc1cc(Cl)ccc1-n1cnnn1)N1CCC(c2ccccc2)CC1C(N)=O
InChIInChI=1S/C23H26ClN7O2/c1-15(30-10-9-17(12-21(30)22(25)32)16-5-3-2-4-6-16)23(33)26-13-18-11-19(24)7-8-20(18)31-14-27-28-29-31/h2-8,11,14-15,17,21H,9-10,12-13H2,1H3,(H2,25,32)(H,26,33)/t15-,17?,21?/m0/s1
InChIKeyXWPFTKRCLYERMO-NNDYNSRJSA-N
MW467.96 g/mol
LogP2.05
Rot. Bonds7

About 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide

1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide (PubChem CID 153287122) has the molecular formula C23H26ClN7O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide
PubChem CID153287122
Molecular FormulaC23H26ClN7O2
Molecular Weight467.96 g/mol
Exact Mass467.18
IUPAC Name1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide
SMILESC[C@@H](C(=O)NCc1cc(Cl)ccc1-n1cnnn1)N1CCC(c2ccccc2)CC1C(N)=O
InChIInChI=1S/C23H26ClN7O2/c1-15(30-10-9-17(12-21(30)22(25)32)16-5-3-2-4-6-16)23(33)26-13-18-11-19(24)7-8-20(18)31-14-27-28-29-31/h2-8,11,14-15,17,21H,9-10,12-13H2,1H3,(H2,25,32)(H,26,33)/t15-,17?,21?/m0/s1
InChIKeyXWPFTKRCLYERMO-NNDYNSRJSA-N
XLogP2.05
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N'-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-2-(2-phenylethyl)butanediamide
CID 153286727
1-[(2S)-1-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 153286845
(2R)-2-amino-N-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
CID 147930560
(2S,3R)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methylpyrrolidine-2-carboxamide
CID 90881973
(3S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-2-hydroxy-2-phenylacetyl]-3,4-dihydropyrazole-3-carboxamide
CID 58017500
(2R)-2-amino-N-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxobutan-2-yl]-4,4-dimethylpentanamide
CID 58760153
acetic acid;[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
CID 68844112
(3S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1,2-oxazolidine-3-carboxamide;hydrochloride
CID 66755297
(1R,2S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[(2R)-2-hydroxy-2-phenylacetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 25154106
(2S,4S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-4,5-dimethylpyrrolidine-2-carboxamide
CID 70288858
(2S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[[(2R,4S)-4-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methylamino]propanamide
CID 163680105
(3S)-2-[(2R)-2-amino-4,4-dimethylpentanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3,4-dihydropyrazole-3-carboxamide
CID 58017518

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide?
The IUPAC name of 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide (CID 153287122) is 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide is C[C@@H](C(=O)NCc1cc(Cl)ccc1-n1cnnn1)N1CCC(c2ccccc2)CC1C(N)=O.
What is the InChIKey of 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide?
The InChIKey is XWPFTKRCLYERMO-NNDYNSRJSA-N. The full InChI is InChI=1S/C23H26ClN7O2/c1-15(30-10-9-17(12-21(30)22(25)32)16-5-3-2-4-6-16)23(33)26-13-18-11-19(24)7-8-20(18)31-14-27-28-29-31/h2-8,11,14-15,17,21H,9-10,12-13H2,1H3,(H2,25,32)(H,26,33)/t15-,17?,21?/m0/s1.
What are the key properties of 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide?
1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide is sourced from PubChem (CID 153287122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).