1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide

C13H25N3O2 — CID 110686073

IUPAC1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCCN(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-11(17)16-9-4-6-12(10-16)13(18)14-7-5-8-15(2)3/h12H,4-10H2,1-3H3,(H,14,18)
InChIKeyFITUWFRZXXDJOO-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.31
Rot. Bonds5

About 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide

1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide (PubChem CID 110686073) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
PubChem CID110686073
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCCN(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-11(17)16-9-4-6-12(10-16)13(18)14-7-5-8-15(2)3/h12H,4-10H2,1-3H3,(H,14,18)
InChIKeyFITUWFRZXXDJOO-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 109147237
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide
CID 71896140
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
CID 146256240
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926238
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide (CID 110686073) is 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCCCN(C)C)C1.
What is the InChIKey of 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide?
The InChIKey is FITUWFRZXXDJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(17)16-9-4-6-12(10-16)13(18)14-7-5-8-15(2)3/h12H,4-10H2,1-3H3,(H,14,18).
What are the key properties of 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide?
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 110686073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).