N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide

C24H31N3O2 — CID 55462491

IUPACN-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(Cc2cccc3ccccc23)CC1)C1CCCC1
InChIInChI=1S/C24H31N3O2/c1-18(28)25-23(20-8-2-3-9-20)24(29)27-15-13-26(14-16-27)17-21-11-6-10-19-7-4-5-12-22(19)21/h4-7,10-12,20,23H,2-3,8-9,13-17H2,1H3,(H,25,28)
InChIKeyZJXVPMKYJKMFOV-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.18
Rot. Bonds5

About N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 55462491) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID55462491
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(Cc2cccc3ccccc23)CC1)C1CCCC1
InChIInChI=1S/C24H31N3O2/c1-18(28)25-23(20-8-2-3-9-20)24(29)27-15-13-26(14-16-27)17-21-11-6-10-19-7-4-5-12-22(19)21/h4-7,10-12,20,23H,2-3,8-9,13-17H2,1H3,(H,25,28)
InChIKeyZJXVPMKYJKMFOV-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone;oxalic acid
CID 17384961
N-[1-cyclopentyl-2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]acetamide
CID 78829362
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119834691
3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834694
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 55462491) is N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)NC(C(=O)N1CCN(Cc2cccc3ccccc23)CC1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is ZJXVPMKYJKMFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(28)25-23(20-8-2-3-9-20)24(29)27-15-13-26(14-16-27)17-21-11-6-10-19-7-4-5-12-22(19)21/h4-7,10-12,20,23H,2-3,8-9,13-17H2,1H3,(H,25,28).
What are the key properties of N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 55462491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).