1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide

C21H31N3O2 — CID 55685452

IUPAC1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C21H31N3O2/c1-3-23(4-2)14-16-7-5-9-19(13-16)22-20(25)18-8-6-12-24(15-18)21(26)17-10-11-17/h5,7,9,13,17-18H,3-4,6,8,10-12,14-15H2,1-2H3,(H,22,25)
InChIKeyXVRDHOOEQXYNIL-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.12
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide (PubChem CID 55685452) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
PubChem CID55685452
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C21H31N3O2/c1-3-23(4-2)14-16-7-5-9-19(13-16)22-20(25)18-8-6-12-24(15-18)21(26)17-10-11-17/h5,7,9,13,17-18H,3-4,6,8,10-12,14-15H2,1-2H3,(H,22,25)
InChIKeyXVRDHOOEQXYNIL-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51956282
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 44825584
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide (CID 55685452) is 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide is CCN(CC)Cc1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is XVRDHOOEQXYNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-23(4-2)14-16-7-5-9-19(13-16)22-20(25)18-8-6-12-24(15-18)21(26)17-10-11-17/h5,7,9,13,17-18H,3-4,6,8,10-12,14-15H2,1-2H3,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55685452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).