N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide

C16H22N4O3 — CID 119318163

IUPACN-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide
SMILESNC(=O)CCNC(=O)c1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C16H22N4O3/c17-14(21)7-9-19-15(22)11-4-3-5-12(10-11)20-16(23)13-6-1-2-8-18-13/h3-5,10,13,18H,1-2,6-9H2,(H2,17,21)(H,19,22)(H,20,23)
InChIKeyMCGCHFSFBADQDC-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.37
Rot. Bonds6

About N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide

N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide (PubChem CID 119318163) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide
PubChem CID119318163
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide
SMILESNC(=O)CCNC(=O)c1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C16H22N4O3/c17-14(21)7-9-19-15(22)11-4-3-5-12(10-11)20-16(23)13-6-1-2-8-18-13/h3-5,10,13,18H,1-2,6-9H2,(H2,17,21)(H,19,22)(H,20,23)
InChIKeyMCGCHFSFBADQDC-UHFFFAOYSA-N
XLogP0.37
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119318162
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
CID 104913671
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide (CID 119318163) is N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide is NC(=O)CCNC(=O)c1cccc(NC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide?
The InChIKey is MCGCHFSFBADQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-14(21)7-9-19-15(22)11-4-3-5-12(10-11)20-16(23)13-6-1-2-8-18-13/h3-5,10,13,18H,1-2,6-9H2,(H2,17,21)(H,19,22)(H,20,23).
What are the key properties of N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide?
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119318163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).