(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide

C19H26N4O2 — CID 95968600

IUPAC(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
SMILESCc1ccc(O[C@@H](C)CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1
InChIInChI=1S/C19H26N4O2/c1-14-5-7-17(8-6-14)25-15(2)12-22-19(24)23-11-3-4-16(13-23)18-20-9-10-21-18/h5-10,15-16H,3-4,11-13H2,1-2H3,(H,20,21)(H,22,24)/t15-,16-/m0/s1
InChIKeyUDIWLGNAMZZTHP-HOTGVXAUSA-N
MW342.44 g/mol
LogP3.07
Rot. Bonds5

About (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide

(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide (PubChem CID 95968600) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
PubChem CID95968600
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
SMILESCc1ccc(O[C@@H](C)CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1
InChIInChI=1S/C19H26N4O2/c1-14-5-7-17(8-6-14)25-15(2)12-22-19(24)23-11-3-4-16(13-23)18-20-9-10-21-18/h5-10,15-16H,3-4,11-13H2,1-2H3,(H,20,21)(H,22,24)/t15-,16-/m0/s1
InChIKeyUDIWLGNAMZZTHP-HOTGVXAUSA-N
XLogP3.07
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 127345387
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
(3S)-3-(1H-imidazol-2-yl)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]piperidine-1-carboxamide
CID 125439102
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide (CID 95968600) is (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide is Cc1ccc(O[C@@H](C)CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1.
What is the InChIKey of (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide?
The InChIKey is UDIWLGNAMZZTHP-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-5-7-17(8-6-14)25-15(2)12-22-19(24)23-11-3-4-16(13-23)18-20-9-10-21-18/h5-10,15-16H,3-4,11-13H2,1-2H3,(H,20,21)(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide?
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 95968600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).