N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride

C14H21ClN4O2 — CID 119308499

IUPACN-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)NCc1ccc(NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C14H20N4O2.ClH/c15-14(20)17-9-10-4-6-11(7-5-10)18-13(19)12-3-1-2-8-16-12;/h4-7,12,16H,1-3,8-9H2,(H,18,19)(H3,15,17,20);1H
InChIKeyYPMAVFPTUUHQHD-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.36
Rot. Bonds4

About N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride

N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119308499) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119308499
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)NCc1ccc(NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C14H20N4O2.ClH/c15-14(20)17-9-10-4-6-11(7-5-10)18-13(19)12-3-1-2-8-16-12;/h4-7,12,16H,1-3,8-9H2,(H,18,19)(H3,15,17,20);1H
InChIKeyYPMAVFPTUUHQHD-UHFFFAOYSA-N
XLogP1.36
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328480

Frequently Asked Questions

What is the IUPAC name of N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride (CID 119308499) is N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride is Cl.NC(=O)NCc1ccc(NC(=O)C2CCCCN2)cc1.
What is the InChIKey of N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is YPMAVFPTUUHQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c15-14(20)17-9-10-4-6-11(7-5-10)18-13(19)12-3-1-2-8-16-12;/h4-7,12,16H,1-3,8-9H2,(H,18,19)(H3,15,17,20);1H.
What are the key properties of N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119308499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).