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

C21H30ClN3O2 — CID 119624288

IUPACN-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-14-12-19(14)20(25)23-18-6-4-16(5-7-18)21(26)24-10-8-17(9-11-24)22-13-15-2-3-15;/h4-7,14-15,17,19,22H,2-3,8-13H2,1H3,(H,23,25);1H
InChIKeyLNLGSMANQHMRJN-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.31
Rot. Bonds6

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

N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119624288) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119624288
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-14-12-19(14)20(25)23-18-6-4-16(5-7-18)21(26)24-10-8-17(9-11-24)22-13-15-2-3-15;/h4-7,14-15,17,19,22H,2-3,8-13H2,1H3,(H,23,25);1H
InChIKeyLNLGSMANQHMRJN-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023008
cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
CID 55651049
2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 46429453
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
2-methyl-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119579414
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
CID 115307125

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 119624288) is N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is CC1CC1C(=O)Nc1ccc(C(=O)N2CCC(NCC3CC3)CC2)cc1.Cl.
What is the InChIKey of N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LNLGSMANQHMRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-14-12-19(14)20(25)23-18-6-4-16(5-7-18)21(26)24-10-8-17(9-11-24)22-13-15-2-3-15;/h4-7,14-15,17,19,22H,2-3,8-13H2,1H3,(H,23,25);1H.
What are the key properties of N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119624288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).