3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide

C17H25BrN2O — CID 115999695

IUPAC3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H25BrN2O/c1-3-8-20(12-14-4-6-19-7-5-14)17(21)15-9-13(2)10-16(18)11-15/h9-11,14,19H,3-8,12H2,1-2H3
InChIKeyMKYNFDWQNDJBFP-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.61
Rot. Bonds5

About 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide

3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide (PubChem CID 115999695) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
PubChem CID115999695
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H25BrN2O/c1-3-8-20(12-14-4-6-19-7-5-14)17(21)15-9-13(2)10-16(18)11-15/h9-11,14,19H,3-8,12H2,1-2H3
InChIKeyMKYNFDWQNDJBFP-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 115999697
5-methyl-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-carboxamide
CID 79720330
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
2-[(3-bromo-5-methylbenzoyl)-propylamino]acetic acid
CID 104850711
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
CID 79701574
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The IUPAC name of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide (CID 115999695) is 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide is CCCN(CC1CCNCC1)C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The InChIKey is MKYNFDWQNDJBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-8-20(12-14-4-6-19-7-5-14)17(21)15-9-13(2)10-16(18)11-15/h9-11,14,19H,3-8,12H2,1-2H3.
What are the key properties of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide has a molecular weight of 353.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 115999695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).