N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide

C16H29N3O2 — CID 167035908

IUPACN,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(N(C)C(=O)C2CCN(C)CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)19-10-7-14(11-19)18(4)16(21)13-5-8-17(3)9-6-13/h12-14H,5-11H2,1-4H3
InChIKeyQBGWJNRKZBSMCP-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.04
Rot. Bonds3

About N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide

N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 167035908) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID167035908
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(N(C)C(=O)C2CCN(C)CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)19-10-7-14(11-19)18(4)16(21)13-5-8-17(3)9-6-13/h12-14H,5-11H2,1-4H3
InChIKeyQBGWJNRKZBSMCP-UHFFFAOYSA-N
XLogP1.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide (CID 167035908) is N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide is CC(C)C(=O)N1CCC(N(C)C(=O)C2CCN(C)CC2)C1.
What is the InChIKey of N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is QBGWJNRKZBSMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)15(20)19-10-7-14(11-19)18(4)16(21)13-5-8-17(3)9-6-13/h12-14H,5-11H2,1-4H3.
What are the key properties of N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 167035908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).