4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide

C16H25N3O — CID 17183789

IUPAC4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-14(2)8-9-18-10-12-19(13-11-18)16(20)17-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20)
InChIKeyGNHYMZHBBIACDX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.88
Rot. Bonds4

About 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide

4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 17183789) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
PubChem CID17183789
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-14(2)8-9-18-10-12-19(13-11-18)16(20)17-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20)
InChIKeyGNHYMZHBBIACDX-UHFFFAOYSA-N
XLogP2.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
ethyl 2-[[4-(3-methylbutyl)piperazine-1-carbonyl]amino]benzoate
CID 113110699
N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide
CID 59413874
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
4-(4-aminobutyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252424
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide (CID 17183789) is 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide is CC(C)CCN1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is GNHYMZHBBIACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14(2)8-9-18-10-12-19(13-11-18)16(20)17-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20).
What are the key properties of 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide?
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 17183789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).