2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide

C16H29N3O2 — CID 87017795

IUPAC2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(=O)NC1CCCN(CC(=O)N(CC(C)C)C2CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)9-19(15-6-7-15)16(21)11-18-8-4-5-14(10-18)17-13(3)20/h12,14-15H,4-11H2,1-3H3,(H,17,20)
InChIKeyYXOXXBGDCRSFNH-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.23
Rot. Bonds6

About 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide

2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide (PubChem CID 87017795) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
PubChem CID87017795
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(=O)NC1CCCN(CC(=O)N(CC(C)C)C2CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)9-19(15-6-7-15)16(21)11-18-8-4-5-14(10-18)17-13(3)20/h12,14-15H,4-11H2,1-3H3,(H,17,20)
InChIKeyYXOXXBGDCRSFNH-UHFFFAOYSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
N-cyclopropyl-2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(2-methylpropyl)acetamide
CID 126767722
1-[2-(3-acetamidopiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87014549
N-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]acetamide
CID 97312328
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
N-cyclopropyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546013
N-[1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 58937983
2-(3-acetamidopiperidin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 75461490
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate
CID 87017323
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide
CID 87014513

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide (CID 87017795) is 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide is CC(=O)NC1CCCN(CC(=O)N(CC(C)C)C2CC2)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The InChIKey is YXOXXBGDCRSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)9-19(15-6-7-15)16(21)11-18-8-4-5-14(10-18)17-13(3)20/h12,14-15H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 87017795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).