(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide

C16H25N3O — CID 28807399

IUPAC(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)15-9-7-14(8-10-15)18-16(20)13-6-5-11-17-12-13/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyVNGFCMRQFISQJT-CYBMUJFWSA-N
MW275.40 g/mol
LogP2.47
Rot. Bonds5

About (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide

(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide (PubChem CID 28807399) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
PubChem CID28807399
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)15-9-7-14(8-10-15)18-16(20)13-6-5-11-17-12-13/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyVNGFCMRQFISQJT-CYBMUJFWSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.47
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

(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
CID 119306484
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
CID 81118246
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide (CID 28807399) is (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is VNGFCMRQFISQJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(4-2)15-9-7-14(8-10-15)18-16(20)13-6-5-11-17-12-13/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide?
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 28807399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).