2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide

C16H24ClN3O — CID 79703789

IUPAC2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCNCC1)c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C16H24ClN3O/c1-11(2)20(10-12-6-8-19-9-7-12)14-5-3-4-13(17)15(14)16(18)21/h3-5,11-12,19H,6-10H2,1-2H3,(H2,18,21)
InChIKeyTZCFYAOOGYGZSE-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.65
Rot. Bonds5

About 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide

2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide (PubChem CID 79703789) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
PubChem CID79703789
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCNCC1)c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C16H24ClN3O/c1-11(2)20(10-12-6-8-19-9-7-12)14-5-3-4-13(17)15(14)16(18)21/h3-5,11-12,19H,6-10H2,1-2H3,(H2,18,21)
InChIKeyTZCFYAOOGYGZSE-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
CID 79704767
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline
CID 79704419
2-chloro-6-piperidin-4-yloxybenzamide
CID 62497560
2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
CID 79115109
2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide
CID 114884942
3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 54999469
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-chloro-6-[ethyl(piperidin-3-yl)amino]benzamide
CID 63638436
4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide
CID 79705469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
The IUPAC name of 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide (CID 79703789) is 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide.
What is the SMILES notation for 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
The canonical SMILES for 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide is CC(C)N(CC1CCNCC1)c1cccc(Cl)c1C(N)=O.
What is the InChIKey of 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
The InChIKey is TZCFYAOOGYGZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(2)20(10-12-6-8-19-9-7-12)14-5-3-4-13(17)15(14)16(18)21/h3-5,11-12,19H,6-10H2,1-2H3,(H2,18,21).
What are the key properties of 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 79703789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).