N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C15H27N3O2 — CID 119554091

IUPACN-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)N(C)C1CCNC1)NC(=O)C1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(17-15(20)12-5-3-4-6-12)9-14(19)18(2)13-7-8-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyDREUBBPXESSUNV-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds5

About N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 119554091) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID119554091
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)N(C)C1CCNC1)NC(=O)C1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(17-15(20)12-5-3-4-6-12)9-14(19)18(2)13-7-8-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyDREUBBPXESSUNV-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119532690
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
4-[(cyclopentanecarbonylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552829
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119534348
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
(3R)-N-[1-(dimethylamino)propan-2-yl]piperidine-3-carboxamide
CID 82945148
2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554088
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N,3,4,4-tetramethyl-N-piperidin-3-ylpentanamide
CID 63833926

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 119554091) is N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)N(C)C1CCNC1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is DREUBBPXESSUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(17-15(20)12-5-3-4-6-12)9-14(19)18(2)13-7-8-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 119554091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).