N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

C18H22ClN3O3 — CID 119277230

IUPACN-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC(=O)C2CCCNC2)cc1)c1ccco1
InChIInChI=1S/C18H21N3O3.ClH/c22-17(14-3-1-9-19-12-14)20-11-13-5-7-15(8-6-13)21-18(23)16-4-2-10-24-16;/h2,4-8,10,14,19H,1,3,9,11-12H2,(H,20,22)(H,21,23);1H
InChIKeyHEJUXAAPWKWHNQ-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.57
Rot. Bonds5

About N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119277230) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119277230
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC(=O)C2CCCNC2)cc1)c1ccco1
InChIInChI=1S/C18H21N3O3.ClH/c22-17(14-3-1-9-19-12-14)20-11-13-5-7-15(8-6-13)21-18(23)16-4-2-10-24-16;/h2,4-8,10,14,19H,1,3,9,11-12H2,(H,20,22)(H,21,23);1H
InChIKeyHEJUXAAPWKWHNQ-UHFFFAOYSA-N
XLogP2.57
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700824

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119277230) is N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(CNC(=O)C2CCCNC2)cc1)c1ccco1.
What is the InChIKey of N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is HEJUXAAPWKWHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c22-17(14-3-1-9-19-12-14)20-11-13-5-7-15(8-6-13)21-18(23)16-4-2-10-24-16;/h2,4-8,10,14,19H,1,3,9,11-12H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119277230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).