3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

C17H25ClN2O — CID 79702736

IUPAC3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCNCC2)C(C)C)cc1Cl
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-14-6-8-19-9-7-14)17(21)15-5-4-13(3)16(18)10-15/h4-5,10,12,14,19H,6-9,11H2,1-3H3
InChIKeyBUNYXHAZWDXAOC-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.50
Rot. Bonds4

About 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 79702736) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID79702736
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCNCC2)C(C)C)cc1Cl
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-14-6-8-19-9-7-14)17(21)15-5-4-13(3)16(18)10-15/h4-5,10,12,14,19H,6-9,11H2,1-3H3
InChIKeyBUNYXHAZWDXAOC-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 106862275
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 55161786
5-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 104786254
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 79720431
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (CID 79702736) is 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC2CCNCC2)C(C)C)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is BUNYXHAZWDXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(2)20(11-14-6-8-19-9-7-14)17(21)15-5-4-13(3)16(18)10-15/h4-5,10,12,14,19H,6-9,11H2,1-3H3.
What are the key properties of 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 79702736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).