N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride

C18H22ClN3O3 — CID 120574688

IUPACN-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-12-15(7-3-9-19-12)21-17(22)13-5-2-6-14(11-13)20-18(23)16-8-4-10-24-16;/h2,4-6,8,10-12,15,19H,3,7,9H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyJGIYQDNVCHVFRP-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.82
Rot. Bonds4

About N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride

N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 120574688) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID120574688
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)c2ccco2)c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-12-15(7-3-9-19-12)21-17(22)13-5-2-6-14(11-13)20-18(23)16-8-4-10-24-16;/h2,4-6,8,10-12,15,19H,3,7,9H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyJGIYQDNVCHVFRP-UHFFFAOYSA-N
XLogP2.82
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 120575116
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
N-[3-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 119428864
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 120577421
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
CID 120570517
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 120576039
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride (CID 120574688) is N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cccc(NC(=O)c2ccco2)c1.Cl.
What is the InChIKey of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is JGIYQDNVCHVFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-12-15(7-3-9-19-12)21-17(22)13-5-2-6-14(11-13)20-18(23)16-8-4-10-24-16;/h2,4-6,8,10-12,15,19H,3,7,9H2,1H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120574688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).