(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide

C16H25N3O2 — CID 81119695

IUPAC(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H25N3O2/c1-19(2)11-12-6-7-15(21-3)14(9-12)18-16(20)13-5-4-8-17-10-13/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyIUQUWXVGARZNTE-ZDUSSCGKSA-N
MW291.40 g/mol
LogP1.69
Rot. Bonds5

About (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide

(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide (PubChem CID 81119695) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
PubChem CID81119695
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H25N3O2/c1-19(2)11-12-6-7-15(21-3)14(9-12)18-16(20)13-5-4-8-17-10-13/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyIUQUWXVGARZNTE-ZDUSSCGKSA-N
XLogP1.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119887720
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide (CID 81119695) is (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide is COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide?
The InChIKey is IUQUWXVGARZNTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)11-12-6-7-15(21-3)14(9-12)18-16(20)13-5-4-8-17-10-13/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide?
(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81119695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).