N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide

C17H30N4O2 — CID 120994849

IUPACN-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H30N4O2/c1-13(19-16(22)14-4-2-3-5-14)17(23)21-9-6-15(12-21)20-10-7-18-8-11-20/h13-15,18H,2-12H2,1H3,(H,19,22)
InChIKeyRMTALCTZVDPYPP-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.19
Rot. Bonds4

About N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide

N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide (PubChem CID 120994849) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
PubChem CID120994849
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H30N4O2/c1-13(19-16(22)14-4-2-3-5-14)17(23)21-9-6-15(12-21)20-10-7-18-8-11-20/h13-15,18H,2-12H2,1H3,(H,19,22)
InChIKeyRMTALCTZVDPYPP-UHFFFAOYSA-N
XLogP0.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclopentanecarbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355100
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
1-[2-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167781
2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995474
2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997739
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-2-yl]acetamide;hydrochloride
CID 120996022
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
CID 120995696
3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995506
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996566

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide (CID 120994849) is N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)C(=O)N1CCC(N2CCNCC2)C1.
What is the InChIKey of N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The InChIKey is RMTALCTZVDPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13(19-16(22)14-4-2-3-5-14)17(23)21-9-6-15(12-21)20-10-7-18-8-11-20/h13-15,18H,2-12H2,1H3,(H,19,22).
What are the key properties of N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide has a molecular weight of 322.45 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 120994849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).