5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide

C19H30N4O2 — CID 42757059

IUPAC5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C19H30N4O2/c1-15(24)21-16-8-9-18(23-12-5-4-6-13-23)17(14-16)19(25)20-10-7-11-22(2)3/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyKAYHRKIDNSLPDF-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.32
Rot. Bonds7

About 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide

5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide (PubChem CID 42757059) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
PubChem CID42757059
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C19H30N4O2/c1-15(24)21-16-8-9-18(23-12-5-4-6-13-23)17(14-16)19(25)20-10-7-11-22(2)3/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyKAYHRKIDNSLPDF-UHFFFAOYSA-N
XLogP2.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757061
5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757060
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 42757301
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 42757063
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42757303
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide (CID 42757059) is 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide is CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCCN(C)C)c1.
What is the InChIKey of 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The InChIKey is KAYHRKIDNSLPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(24)21-16-8-9-18(23-12-5-4-6-13-23)17(14-16)19(25)20-10-7-11-22(2)3/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide has a molecular weight of 346.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 42757059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).