(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C18H26N4O2 — CID 125435428

IUPAC(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)C[C@]1(CO)CCCN(C(=O)NCc2ccc(C#N)cc2)C1
InChIInChI=1S/C18H26N4O2/c1-21(2)12-18(14-23)8-3-9-22(13-18)17(24)20-11-16-6-4-15(10-19)5-7-16/h4-7,23H,3,8-9,11-14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyVEWUCVPILXHHSO-GOSISDBHSA-N
MW330.43 g/mol
LogP1.40
Rot. Bonds5

About (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 125435428) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID125435428
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)C[C@]1(CO)CCCN(C(=O)NCc2ccc(C#N)cc2)C1
InChIInChI=1S/C18H26N4O2/c1-21(2)12-18(14-23)8-3-9-22(13-18)17(24)20-11-16-6-4-15(10-19)5-7-16/h4-7,23H,3,8-9,11-14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyVEWUCVPILXHHSO-GOSISDBHSA-N
XLogP1.40
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide;formic acid
CID 154907037
(3R)-N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carboxamide
CID 97151417
4-[[[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020119
(3S)-3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97133998
3-[[(3S)-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 99930194
1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62269126
N-[(4-cyanophenyl)methyl]-4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 122567884
(3S)-N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97132051
(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125167670
(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97453605
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
3-chloro-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 131916912

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 125435428) is (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is CN(C)C[C@]1(CO)CCCN(C(=O)NCc2ccc(C#N)cc2)C1.
What is the InChIKey of (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is VEWUCVPILXHHSO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(2)12-18(14-23)8-3-9-22(13-18)17(24)20-11-16-6-4-15(10-19)5-7-16/h4-7,23H,3,8-9,11-14H2,1-2H3,(H,20,24)/t18-/m1/s1.
What are the key properties of (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125435428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).