N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

C14H21ClN4O2 — CID 119277382

IUPACN-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)Nc1ccc(CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C14H20N4O2.ClH/c15-14(20)18-12-5-3-10(4-6-12)8-17-13(19)11-2-1-7-16-9-11;/h3-6,11,16H,1-2,7-9H2,(H,17,19)(H3,15,18,20);1H
InChIKeyHGWGQYWBSSTLDI-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.21
Rot. Bonds4

About N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119277382) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119277382
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)Nc1ccc(CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C14H20N4O2.ClH/c15-14(20)18-12-5-3-10(4-6-12)8-17-13(19)11-2-1-7-16-9-11;/h3-6,11,16H,1-2,7-9H2,(H,17,19)(H3,15,18,20);1H
InChIKeyHGWGQYWBSSTLDI-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119730381
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119277382) is N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is Cl.NC(=O)Nc1ccc(CNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is HGWGQYWBSSTLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c15-14(20)18-12-5-3-10(4-6-12)8-17-13(19)11-2-1-7-16-9-11;/h3-6,11,16H,1-2,7-9H2,(H,17,19)(H3,15,18,20);1H.
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119277382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).