3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide

C21H33N3O2 — CID 119544153

IUPAC3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCC(CNC)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-4-11-23(12-5-2)20(25)18-7-6-8-19(15-18)21(26)24-13-9-17(10-14-24)16-22-3/h6-8,15,17,22H,4-5,9-14,16H2,1-3H3
InChIKeyXXLZEXRQQZZQNO-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.02
Rot. Bonds8

About 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide

3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide (PubChem CID 119544153) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
PubChem CID119544153
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CCC(CNC)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-4-11-23(12-5-2)20(25)18-7-6-8-19(15-18)21(26)24-13-9-17(10-14-24)16-22-3/h6-8,15,17,22H,4-5,9-14,16H2,1-3H3
InChIKeyXXLZEXRQQZZQNO-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119410677
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119545663
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide?
The IUPAC name of 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide (CID 119544153) is 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC(CNC)CC2)c1.
What is the InChIKey of 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide?
The InChIKey is XXLZEXRQQZZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-4-11-23(12-5-2)20(25)18-7-6-8-19(15-18)21(26)24-13-9-17(10-14-24)16-22-3/h6-8,15,17,22H,4-5,9-14,16H2,1-3H3.
What are the key properties of 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide?
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide has a molecular weight of 359.51 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide is sourced from PubChem (CID 119544153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).