N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119310942

IUPACN-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCCCN1)NCc1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c20-15(19-12-13-6-2-1-3-7-13)9-11-18-16(21)14-8-4-5-10-17-14;/h1-3,6-7,14,17H,4-5,8-12H2,(H,18,21)(H,19,20);1H
InChIKeyOVSMQHPKVNHUBQ-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.37
Rot. Bonds6

About N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride

N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119310942) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119310942
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCCCN1)NCc1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c20-15(19-12-13-6-2-1-3-7-13)9-11-18-16(21)14-8-4-5-10-17-14;/h1-3,6-7,14,17H,4-5,8-12H2,(H,18,21)(H,19,20);1H
InChIKeyOVSMQHPKVNHUBQ-UHFFFAOYSA-N
XLogP1.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
benzyl 3-[3-(pyrrolidine-2-carbonylamino)propanoylamino]propanoate
CID 129137633
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-(2-naphthalen-1-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119288851
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride (CID 119310942) is N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)C1CCCCN1)NCc1ccccc1.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is OVSMQHPKVNHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c20-15(19-12-13-6-2-1-3-7-13)9-11-18-16(21)14-8-4-5-10-17-14;/h1-3,6-7,14,17H,4-5,8-12H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119310942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).