N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide

C17H27N3O — CID 43711978

IUPACN-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)13-14-6-5-7-16(12-14)19-17(21)15-8-10-18-11-9-15/h5-7,12,15,18H,3-4,8-11,13H2,1-2H3,(H,19,21)
InChIKeyURFBCPNOECRXDC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.47
Rot. Bonds6

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

N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide (PubChem CID 43711978) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
PubChem CID43711978
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)13-14-6-5-7-16(12-14)19-17(21)15-8-10-18-11-9-15/h5-7,12,15,18H,3-4,8-11,13H2,1-2H3,(H,19,21)
InChIKeyURFBCPNOECRXDC-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
CID 119333866
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119732670
2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852810
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide (CID 43711978) is N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide is CCN(CC)Cc1cccc(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is URFBCPNOECRXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(4-2)13-14-6-5-7-16(12-14)19-17(21)15-8-10-18-11-9-15/h5-7,12,15,18H,3-4,8-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide?
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43711978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).