N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide

C19H29N3O2 — CID 110810943

IUPACN-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCc1cccc(CCC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-15-6-5-7-16(14-15)8-9-17(23)21-10-12-22(13-11-21)18(24)20-19(2,3)4/h5-7,14H,8-13H2,1-4H3,(H,20,24)
InChIKeyLZIPANAFYFMIJL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.58
Rot. Bonds3

About N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide

N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide (PubChem CID 110810943) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
PubChem CID110810943
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCc1cccc(CCC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-15-6-5-7-16(14-15)8-9-17(23)21-10-12-22(13-11-21)18(24)20-19(2,3)4/h5-7,14H,8-13H2,1-4H3,(H,20,24)
InChIKeyLZIPANAFYFMIJL-UHFFFAOYSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-4-[3-(3-methylphenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811784
N-tert-butyl-4-[3-(4-methylphenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811775
3,3-dimethyl-1-[4-[3-(3-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110799442
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810944
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110797482
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666027
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 110707634

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide (CID 110810943) is N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide is Cc1cccc(CCC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
The InChIKey is LZIPANAFYFMIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-6-5-7-16(14-15)8-9-17(23)21-10-12-22(13-11-21)18(24)20-19(2,3)4/h5-7,14H,8-13H2,1-4H3,(H,20,24).
What are the key properties of N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 110810943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).