3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

C16H20Cl2N2O — CID 106628660

IUPAC3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-6-12(7-14(18)8-13)16(21)20(15-3-4-15)10-11-2-1-5-19-9-11/h6-8,11,15,19H,1-5,9-10H2
InChIKeyYHBHKBZPLUMTBS-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds4

About 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106628660) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106628660
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-6-12(7-14(18)8-13)16(21)20(15-3-4-15)10-11-2-1-5-19-9-11/h6-8,11,15,19H,1-5,9-10H2
InChIKeyYHBHKBZPLUMTBS-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
N-cyclopropyl-5-(methoxymethyl)-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106628709
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106628723
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
N-cyclopropyl-3-(dimethylamino)-N-(piperidin-3-ylmethyl)propanamide
CID 106628487
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (CID 106628660) is 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is O=C(c1cc(Cl)cc(Cl)c1)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is YHBHKBZPLUMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-6-12(7-14(18)8-13)16(21)20(15-3-4-15)10-11-2-1-5-19-9-11/h6-8,11,15,19H,1-5,9-10H2.
What are the key properties of 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 327.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106628660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).