N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide

C21H31N3O2 — CID 55447147

IUPACN,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C21H31N3O2/c1-3-23(4-2)19(25)17-22-13-15-24(16-14-22)20(26)21(11-8-12-21)18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3
InChIKeyYUQKJUHAODNUSZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.12
Rot. Bonds6

About N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide (PubChem CID 55447147) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide
PubChem CID55447147
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C21H31N3O2/c1-3-23(4-2)19(25)17-22-13-15-24(16-14-22)20(26)21(11-8-12-21)18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3
InChIKeyYUQKJUHAODNUSZ-UHFFFAOYSA-N
XLogP2.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
CID 110436569
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 119844043
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 36509634
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide (CID 55447147) is N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)C2(c3ccccc3)CCC2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide?
The InChIKey is YUQKJUHAODNUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-23(4-2)19(25)17-22-13-15-24(16-14-22)20(26)21(11-8-12-21)18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55447147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).