4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide

C18H27N3O2 — CID 134006709

IUPAC4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC(C)C3CCCO3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14-5-3-6-16(13-14)20-8-10-21(11-9-20)18(22)19-15(2)17-7-4-12-23-17/h3,5-6,13,15,17H,4,7-12H2,1-2H3,(H,19,22)
InChIKeyNLEYMPHZADYHHL-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.39
Rot. Bonds3

About 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide

4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 134006709) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID134006709
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC(C)C3CCCO3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14-5-3-6-16(13-14)20-8-10-21(11-9-20)18(22)19-15(2)17-7-4-12-23-17/h3,5-6,13,15,17H,4,7-12H2,1-2H3,(H,19,22)
InChIKeyNLEYMPHZADYHHL-UHFFFAOYSA-N
XLogP2.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
CID 134006673
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943652
N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108911886
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960037
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133498

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide (CID 134006709) is 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NC(C)C3CCCO3)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is NLEYMPHZADYHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-5-3-6-16(13-14)20-8-10-21(11-9-20)18(22)19-15(2)17-7-4-12-23-17/h3,5-6,13,15,17H,4,7-12H2,1-2H3,(H,19,22).
What are the key properties of 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 134006709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).