N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide

C25H34N4O2 — CID 86944885

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C25H34N4O2/c1-18(2)23-17-21(20-9-5-6-10-22(20)27-23)24(30)26-11-12-28-13-15-29(16-14-28)25(31)19-7-3-4-8-19/h5-6,9-10,17-19H,3-4,7-8,11-16H2,1-2H3,(H,26,30)
InChIKeyYPMBCCDWIUZOLN-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.42
Rot. Bonds6

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 86944885) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID86944885
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C25H34N4O2/c1-18(2)23-17-21(20-9-5-6-10-22(20)27-23)24(30)26-11-12-28-13-15-29(16-14-28)25(31)19-7-3-4-8-19/h5-6,9-10,17-19H,3-4,7-8,11-16H2,1-2H3,(H,26,30)
InChIKeyYPMBCCDWIUZOLN-UHFFFAOYSA-N
XLogP3.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 31797853
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 55563722
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-9-oxofluorene-2-carboxamide
CID 86944761
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
CID 86944988
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711
1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 86944965

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide (CID 86944885) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)c2ccccc2n1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is YPMBCCDWIUZOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-18(2)23-17-21(20-9-5-6-10-22(20)27-23)24(30)26-11-12-28-13-15-29(16-14-28)25(31)19-7-3-4-8-19/h5-6,9-10,17-19H,3-4,7-8,11-16H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 86944885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).