N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

C16H29N3O2 — CID 71840439

IUPACN-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCC1CCCN(C1)C(=O)NC2CCCC2
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)17-10-13-6-5-9-19(11-13)16(21)18-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJXQYMYGEDZBJLK-UHFFFAOYSA-N
MW295.42 g/mol
LogP1.90
Rot. Bonds4

About N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840439) has the molecular formula C16H29N3O2 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840439
Molecular FormulaC16H29N3O2
Molecular Weight295.42 g/mol
Exact Mass295.23
IUPAC NameN-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCC1CCCN(C1)C(=O)NC2CCCC2
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)17-10-13-6-5-9-19(11-13)16(21)18-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJXQYMYGEDZBJLK-UHFFFAOYSA-N
XLogP1.90
TPSA61.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity365

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (CID 71840439) is N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is CC(C)C(=O)NCC1CCCN(C1)C(=O)NC2CCCC2.
What is the InChIKey of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is JXQYMYGEDZBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)15(20)17-10-13-6-5-9-19(11-13)16(21)18-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 295.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).