N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C20H29N3O3 — CID 86914120

IUPACN-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-15(2)18(16-7-4-3-5-8-16)21-20(25)23-12-10-22(11-13-23)19(24)17-9-6-14-26-17/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,21,25)
InChIKeyOQPLZIDKDNMHSI-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.42
Rot. Bonds4

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

N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 86914120) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID86914120
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-15(2)18(16-7-4-3-5-8-16)21-20(25)23-12-10-22(11-13-23)19(24)17-9-6-14-26-17/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,21,25)
InChIKeyOQPLZIDKDNMHSI-UHFFFAOYSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
CID 86914075
N'-methyl-N-(3-methyl-2-phenylbutyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300971
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
(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
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N'-methyl-4-(oxolane-2-carbonyl)-N-(3-phenylbutyl)piperazine-1-carboximidamide;hydroiodide
CID 111302152
2-anilino-2-methyl-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 134713612
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 86914120) is N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is CC(C)C(NC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is OQPLZIDKDNMHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)18(16-7-4-3-5-8-16)21-20(25)23-12-10-22(11-13-23)19(24)17-9-6-14-26-17/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 86914120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).