2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C24H42N4O2 — CID 24719269

IUPAC2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H42N4O2/c1-19-7-4-5-13-26(19)14-6-12-25-23(29)22(20-8-2-3-9-20)27-15-17-28(18-16-27)24(30)21-10-11-21/h19-22H,2-18H2,1H3,(H,25,29)
InChIKeyNKSBOGXEQWFUMM-UHFFFAOYSA-N
MW418.63 g/mol
LogP2.48
Rot. Bonds8

About 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 24719269) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID24719269
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC Name2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H42N4O2/c1-19-7-4-5-13-26(19)14-6-12-25-23(29)22(20-8-2-3-9-20)27-15-17-28(18-16-27)24(30)21-10-11-21/h19-22H,2-18H2,1H3,(H,25,29)
InChIKeyNKSBOGXEQWFUMM-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 155529699
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
N-(1-(1-isopropylpiperazine-4-carbonyl)piperidin-4-yl)cyclopentanecarboxamide
CID 16049886
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 49788655
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
CID 3238870
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988
(2S)-2,6-diamino-1-[4-(1-pentadecylpiperidin-4-yl)piperidin-1-yl]hexan-1-one
CID 44592906
1-[4-[1-[(2S)-2,6-diaminohexanoyl]piperidin-4-yl]piperidin-1-yl]pentadecan-1-one
CID 44592922
4-ethyl-N-(3-methyl-1-{[3-(2-methylpiperidin-1-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 16187660
N-[(2S)-4-(4-methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 126601789

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 24719269) is 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is CC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is NKSBOGXEQWFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O2/c1-19-7-4-5-13-26(19)14-6-12-25-23(29)22(20-8-2-3-9-20)27-15-17-28(18-16-27)24(30)21-10-11-21/h19-22H,2-18H2,1H3,(H,25,29).
What are the key properties of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 418.63 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 24719269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).