3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide

C20H30N2O2 — CID 109052323

IUPAC3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-4-11-21(12-5-2)19(23)17-7-6-8-18(15-17)20(24)22-13-9-16(3)10-14-22/h6-8,15-16H,4-5,9-14H2,1-3H3
InChIKeyAMNHQTAHAQZYGP-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.82
Rot. Bonds6

About 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide

3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide (PubChem CID 109052323) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
PubChem CID109052323
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-4-11-21(12-5-2)19(23)17-7-6-8-18(15-17)20(24)22-13-9-16(3)10-14-22/h6-8,15-16H,4-5,9-14H2,1-3H3
InChIKeyAMNHQTAHAQZYGP-UHFFFAOYSA-N
XLogP3.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119544153
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119410677
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883
3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 120569496
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063489
N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide (CID 109052323) is 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide?
The InChIKey is AMNHQTAHAQZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-11-21(12-5-2)19(23)17-7-6-8-18(15-17)20(24)22-13-9-16(3)10-14-22/h6-8,15-16H,4-5,9-14H2,1-3H3.
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide?
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide has a molecular weight of 330.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide is sourced from PubChem (CID 109052323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).