4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C19H29N3O2 — CID 113105457

IUPAC4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15(2)16-5-7-17(8-6-16)20-19(23)22-11-9-21(10-12-22)14-18-4-3-13-24-18/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyFSLMZHQSLISDRN-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.14
Rot. Bonds4

About 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113105457) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113105457
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15(2)16-5-7-17(8-6-16)20-19(23)22-11-9-21(10-12-22)14-18-4-3-13-24-18/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyFSLMZHQSLISDRN-UHFFFAOYSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95342000
N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336884
N-(4-ethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336905
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 55337800
(2S)-N-(4-bromophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9461108
(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9461104
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
2-(4-acetylanilino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 71140798

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113105457) is 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(CC3CCCO3)CC2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is FSLMZHQSLISDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(2)16-5-7-17(8-6-16)20-19(23)22-11-9-21(10-12-22)14-18-4-3-13-24-18/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).