N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide

C17H31N3O2 — CID 75425461

IUPACN,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide
SMILESCC(C)CC1(C(=O)N2CCN(C(=O)N(C)C)CC2)CCCC1
InChIInChI=1S/C17H31N3O2/c1-14(2)13-17(7-5-6-8-17)15(21)19-9-11-20(12-10-19)16(22)18(3)4/h14H,5-13H2,1-4H3
InChIKeyIPVCSSAGCTVQAZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.42
Rot. Bonds3

About N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide

N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide (PubChem CID 75425461) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide
PubChem CID75425461
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide
SMILESCC(C)CC1(C(=O)N2CCN(C(=O)N(C)C)CC2)CCCC1
InChIInChI=1S/C17H31N3O2/c1-14(2)13-17(7-5-6-8-17)15(21)19-9-11-20(12-10-19)16(22)18(3)4/h14H,5-13H2,1-4H3
InChIKeyIPVCSSAGCTVQAZ-UHFFFAOYSA-N
XLogP2.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide (CID 75425461) is N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide is CC(C)CC1(C(=O)N2CCN(C(=O)N(C)C)CC2)CCCC1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
The InChIKey is IPVCSSAGCTVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14(2)13-17(7-5-6-8-17)15(21)19-9-11-20(12-10-19)16(22)18(3)4/h14H,5-13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 75425461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).