4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide

C20H29N3O3 — CID 86914075

IUPAC4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
SMILESCCC(CNC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-2-16(17-7-4-3-5-8-17)15-21-20(25)23-12-10-22(11-13-23)19(24)18-9-6-14-26-18/h3-5,7-8,16,18H,2,6,9-15H2,1H3,(H,21,25)
InChIKeyNQRRRFHQASARHT-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.21
Rot. Bonds5

About 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide

4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide (PubChem CID 86914075) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
PubChem CID86914075
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
SMILESCCC(CNC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-2-16(17-7-4-3-5-8-17)15-21-20(25)23-12-10-22(11-13-23)19(24)18-9-6-14-26-18/h3-5,7-8,16,18H,2,6,9-15H2,1H3,(H,21,25)
InChIKeyNQRRRFHQASARHT-UHFFFAOYSA-N
XLogP2.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86914120
N'-methyl-N-(3-methyl-2-phenylbutyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300971
N-[2-(diethylamino)-2-phenylethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301643
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
N'-methyl-4-(oxolane-2-carbonyl)-N-(3-phenylbutyl)piperazine-1-carboximidamide;hydroiodide
CID 111302152
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
(4-benzhydrylpiperazin-4-ium-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 7762308
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40642009
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870

Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide (CID 86914075) is 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide is CCC(CNC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1.
What is the InChIKey of 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide?
The InChIKey is NQRRRFHQASARHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-16(17-7-4-3-5-8-17)15-21-20(25)23-12-10-22(11-13-23)19(24)18-9-6-14-26-18/h3-5,7-8,16,18H,2,6,9-15H2,1H3,(H,21,25).
What are the key properties of 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide?
4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 86914075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).