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

C16H23ClN2O — CID 79721152

IUPAC2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-12(2)19(11-13-7-9-18-10-8-13)16(20)14-5-3-4-6-15(14)17/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyZLJVPGYKBFSYRP-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.19
Rot. Bonds4

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

2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 79721152) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID79721152
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-12(2)19(11-13-7-9-18-10-8-13)16(20)14-5-3-4-6-15(14)17/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyZLJVPGYKBFSYRP-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 106862275
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
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 79720431
3-benzyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 107654227
5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (CID 79721152) is 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CCNCC1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is ZLJVPGYKBFSYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(2)19(11-13-7-9-18-10-8-13)16(20)14-5-3-4-6-15(14)17/h3-6,12-13,18H,7-11H2,1-2H3.
What are the key properties of 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 79721152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).