2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide

C25H38N4O2 — CID 45252509

IUPAC2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide
SMILESCCN1CC(CNC2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CC1=O
InChIInChI=1S/C25H38N4O2/c1-2-28-18-20(15-25(28)31)17-26-21-10-12-29(13-11-21)23-9-5-8-22(16-23)27-24(30)14-19-6-3-4-7-19/h5,8-9,16,19-21,26H,2-4,6-7,10-15,17-18H2,1H3,(H,27,30)
InChIKeyLFNFGSRZDNBRDV-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.63
Rot. Bonds8

About 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide

2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide (PubChem CID 45252509) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide
PubChem CID45252509
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide
SMILESCCN1CC(CNC2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CC1=O
InChIInChI=1S/C25H38N4O2/c1-2-28-18-20(15-25(28)31)17-26-21-10-12-29(13-11-21)23-9-5-8-22(16-23)27-24(30)14-19-6-3-4-7-19/h5,8-9,16,19-21,26H,2-4,6-7,10-15,17-18H2,1H3,(H,27,30)
InChIKeyLFNFGSRZDNBRDV-UHFFFAOYSA-N
XLogP3.63
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42165920
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2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
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4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126434894
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
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2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
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CID 115909872
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
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CID 115679873
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide (CID 45252509) is 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide is CCN1CC(CNC2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CC1=O.
What is the InChIKey of 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide?
The InChIKey is LFNFGSRZDNBRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-2-28-18-20(15-25(28)31)17-26-21-10-12-29(13-11-21)23-9-5-8-22(16-23)27-24(30)14-19-6-3-4-7-19/h5,8-9,16,19-21,26H,2-4,6-7,10-15,17-18H2,1H3,(H,27,30).
What are the key properties of 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide?
2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide has a molecular weight of 426.61 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 45252509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).