N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide

C16H25N3O — CID 47120826

IUPACN-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-14(2)13-18-8-10-19(11-9-18)16(20)17-12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20)
InChIKeyJXSUFROYFOQOTR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.17
Rot. Bonds4

About N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide

N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 47120826) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID47120826
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-14(2)13-18-8-10-19(11-9-18)16(20)17-12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20)
InChIKeyJXSUFROYFOQOTR-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 51083679
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
CID 119073232
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide (CID 47120826) is N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CN1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is JXSUFROYFOQOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14(2)13-18-8-10-19(11-9-18)16(20)17-12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,17,20).
What are the key properties of N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide?
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 47120826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).