1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

C21H30ClN3O2 — CID 119624264

IUPAC1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1Cc1ccc(C(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C21H29N3O2.ClH/c25-20-2-1-11-24(20)15-17-5-7-18(8-6-17)21(26)23-12-9-19(10-13-23)22-14-16-3-4-16;/h5-8,16,19,22H,1-4,9-15H2;1H
InChIKeyCNARAQVYVCJBRH-UHFFFAOYSA-N
MW391.94 g/mol
LogP2.84
Rot. Bonds6

About 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119624264) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
PubChem CID119624264
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1Cc1ccc(C(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C21H29N3O2.ClH/c25-20-2-1-11-24(20)15-17-5-7-18(8-6-17)21(26)23-12-9-19(10-13-23)22-14-16-3-4-16;/h5-8,16,19,22H,1-4,9-15H2;1H
InChIKeyCNARAQVYVCJBRH-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119622567
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
N-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 119622496
1-[[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 120658389
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694
1-[[4-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55555950
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
1-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119595515
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 119564568
5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
CID 115307125

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (CID 119624264) is 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1Cc1ccc(C(=O)N2CCC(NCC3CC3)CC2)cc1.
What is the InChIKey of 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is CNARAQVYVCJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c25-20-2-1-11-24(20)15-17-5-7-18(8-6-17)21(26)23-12-9-19(10-13-23)22-14-16-3-4-16;/h5-8,16,19,22H,1-4,9-15H2;1H.
What are the key properties of 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119624264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).