N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

C18H28N4O — CID 110874461

IUPACN-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCN1CCC(N2CCN(C(=O)NCc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)18(23)19-15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,19,23)
InChIKeyUYYJSRGIOJNANN-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.61
Rot. Bonds3

About N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 110874461) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID110874461
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCN1CCC(N2CCN(C(=O)NCc3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)18(23)19-15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,19,23)
InChIKeyUYYJSRGIOJNANN-UHFFFAOYSA-N
XLogP1.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71192982
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CID 24664554
N-benzyl-4-methylpiperidine-1-carboxamide
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N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
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N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
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CID 119070259
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
N-benzylazonane-1-carboxamide
CID 130689649
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
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CID 23139846

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (CID 110874461) is N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is CN1CCC(N2CCN(C(=O)NCc3ccccc3)CC2)CC1.
What is the InChIKey of N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is UYYJSRGIOJNANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)18(23)19-15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,19,23).
What are the key properties of N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110874461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).