N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride

C22H28ClN3O3 — CID 119624931

IUPACN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-24(22(27)20-7-4-14-28-20)19-6-3-2-5-18(19)21(26)25-12-10-17(11-13-25)23-15-16-8-9-16;/h2-7,14,16-17,23H,8-13,15H2,1H3;1H
InChIKeyWVHHPOXWPIBCQN-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.58
Rot. Bonds6

About N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride

N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119624931) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID119624931
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-24(22(27)20-7-4-14-28-20)19-6-3-2-5-18(19)21(26)25-12-10-17(11-13-25)23-15-16-8-9-16;/h2-7,14,16-17,23H,8-13,15H2,1H3;1H
InChIKeyWVHHPOXWPIBCQN-UHFFFAOYSA-N
XLogP3.58
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide
CID 119418147
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
CID 119428571
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 120804617
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119622400
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 120947205
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120602161

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride (CID 119624931) is N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride is CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is WVHHPOXWPIBCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-24(22(27)20-7-4-14-28-20)19-6-3-2-5-18(19)21(26)25-12-10-17(11-13-25)23-15-16-8-9-16;/h2-7,14,16-17,23H,8-13,15H2,1H3;1H.
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119624931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).