N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride

C17H32ClN3O2 — CID 119532690

IUPACN-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride
SMILESCCCN(C(=O)CC(C)NC(=O)C1CCCC1)C1CCNC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-3-10-20(15-8-9-18-12-15)16(21)11-13(2)19-17(22)14-6-4-5-7-14;/h13-15,18H,3-12H2,1-2H3,(H,19,22);1H
InChIKeyQAQIBFQCWWQWOI-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.09
Rot. Bonds7

About N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride

N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride (PubChem CID 119532690) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride
PubChem CID119532690
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC NameN-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride
SMILESCCCN(C(=O)CC(C)NC(=O)C1CCCC1)C1CCNC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-3-10-20(15-8-9-18-12-15)16(21)11-13(2)19-17(22)14-6-4-5-7-14;/h13-15,18H,3-12H2,1-2H3,(H,19,22);1H
InChIKeyQAQIBFQCWWQWOI-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119554091
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
3-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate
CID 71879865
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride?
The IUPAC name of N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride (CID 119532690) is N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride is CCCN(C(=O)CC(C)NC(=O)C1CCCC1)C1CCNC1.Cl.
What is the InChIKey of N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride?
The InChIKey is QAQIBFQCWWQWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-3-10-20(15-8-9-18-12-15)16(21)11-13(2)19-17(22)14-6-4-5-7-14;/h13-15,18H,3-12H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride?
N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride is sourced from PubChem (CID 119532690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).