1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one

C21H29N3O2 — CID 119623169

IUPAC1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(NCC3CC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H29N3O2/c25-20-12-18(15-24(20)14-17-4-2-1-3-5-17)21(26)23-10-8-19(9-11-23)22-13-16-6-7-16/h1-5,16,18-19,22H,6-15H2
InChIKeyKUBNVNSRPAXXLL-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.03
Rot. Bonds6

About 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one

1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 119623169) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID119623169
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(NCC3CC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H29N3O2/c25-20-12-18(15-24(20)14-17-4-2-1-3-5-17)21(26)23-10-8-19(9-11-23)22-13-16-6-7-16/h1-5,16,18-19,22H,6-15H2
InChIKeyKUBNVNSRPAXXLL-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119625408
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550808
N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922031
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119621718
tert-butyl N-[2-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916415
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557384
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 119624805

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one (CID 119623169) is 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(NCC3CC3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KUBNVNSRPAXXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-12-18(15-24(20)14-17-4-2-1-3-5-17)21(26)23-10-8-19(9-11-23)22-13-16-6-7-16/h1-5,16,18-19,22H,6-15H2.
What are the key properties of 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 119623169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).