N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide

C23H35N3O3 — CID 86944948

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-19-7-2-5-10-21(19)29-18-6-11-22(27)24-12-13-25-14-16-26(17-15-25)23(28)20-8-3-4-9-20/h2,5,7,10,20H,3-4,6,8-9,11-18H2,1H3,(H,24,27)
InChIKeyDUFUJDDRCLBWRB-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.60
Rot. Bonds9

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide (PubChem CID 86944948) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide
PubChem CID86944948
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-19-7-2-5-10-21(19)29-18-6-11-22(27)24-12-13-25-14-16-26(17-15-25)23(28)20-8-3-4-9-20/h2,5,7,10,20H,3-4,6,8-9,11-18H2,1H3,(H,24,27)
InChIKeyDUFUJDDRCLBWRB-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.60
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-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)propanamide
CID 86944687
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86944834
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111839001
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide
CID 86944746
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide (CID 86944948) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide?
The InChIKey is DUFUJDDRCLBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-19-7-2-5-10-21(19)29-18-6-11-22(27)24-12-13-25-14-16-26(17-15-25)23(28)20-8-3-4-9-20/h2,5,7,10,20H,3-4,6,8-9,11-18H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide has a molecular weight of 401.55 g/mol, XLogP of 2.60, 9 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]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 86944948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).