1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride

C20H32Cl2N4O2 — CID 119872902

IUPAC1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-15(22-19(26)20(21)9-2-3-10-20)13-18(25)23-16-7-6-8-17(14-16)24-11-4-5-12-24;;/h6-8,14-15H,2-5,9-13,21H2,1H3,(H,22,26)(H,23,25);2*1H
InChIKeyCSWVXXJNAJACEN-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.24
Rot. Bonds6

About 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119872902) has the molecular formula C20H32Cl2N4O2 and a molecular weight of 431.41 g/mol. Its IUPAC name is 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119872902
Molecular FormulaC20H32Cl2N4O2
Molecular Weight431.41 g/mol
Exact Mass430.19
IUPAC Name1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-15(22-19(26)20(21)9-2-3-10-20)13-18(25)23-16-7-6-8-17(14-16)24-11-4-5-12-24;;/h6-8,14-15H,2-5,9-13,21H2,1H3,(H,22,26)(H,23,25);2*1H
InChIKeyCSWVXXJNAJACEN-UHFFFAOYSA-N
XLogP3.24
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888
4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
CID 119872921
5-amino-2-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide;dihydrochloride
CID 120645944
(2S,5R)-5-(aminomethyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]oxolane-2-carboxamide
CID 120799612
3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107312
1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863690
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107329
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119872902) is 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride is CC(CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C1(N)CCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is CSWVXXJNAJACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.2ClH/c1-15(22-19(26)20(21)9-2-3-10-20)13-18(25)23-16-7-6-8-17(14-16)24-11-4-5-12-24;;/h6-8,14-15H,2-5,9-13,21H2,1H3,(H,22,26)(H,23,25);2*1H.
What are the key properties of 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 431.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119872902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).