(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide

C14H21N3O — CID 28807397

IUPAC(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C14H21N3O/c1-17(2)13-7-5-12(6-8-13)16-14(18)11-4-3-9-15-10-11/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyZLFKECYNPADMAE-NSHDSACASA-N
MW247.34 g/mol
LogP1.69
Rot. Bonds3

About (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide

(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide (PubChem CID 28807397) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
PubChem CID28807397
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C14H21N3O/c1-17(2)13-7-5-12(6-8-13)16-14(18)11-4-3-9-15-10-11/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyZLFKECYNPADMAE-NSHDSACASA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
(E)-3-[4-[[(3R)-piperidine-3-carbonyl]amino]phenyl]prop-2-enoic acid
CID 115342369
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide
CID 119282784
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
propan-2-yl 4-(piperidine-3-carbonylamino)benzoate
CID 43702839

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide (CID 28807397) is (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide is CN(C)c1ccc(NC(=O)[C@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is ZLFKECYNPADMAE-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)13-7-5-12(6-8-13)16-14(18)11-4-3-9-15-10-11/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide?
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 28807397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).