N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide

C16H22Cl2N2O — CID 46179093

IUPACN-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-9-20(13-3-4-14(17)15(18)11-13)16(21)10-12-5-7-19-8-6-12/h3-4,11-12,19H,2,5-10H2,1H3
InChIKeyQPNNJMVRZMQORO-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.13
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide

N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide (PubChem CID 46179093) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide
PubChem CID46179093
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-9-20(13-3-4-14(17)15(18)11-13)16(21)10-12-5-7-19-8-6-12/h3-4,11-12,19H,2,5-10H2,1H3
InChIKeyQPNNJMVRZMQORO-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide (CID 46179093) is N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide is CCCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide?
The InChIKey is QPNNJMVRZMQORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-9-20(13-3-4-14(17)15(18)11-13)16(21)10-12-5-7-19-8-6-12/h3-4,11-12,19H,2,5-10H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide?
N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide has a molecular weight of 329.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-piperidin-4-yl-N-propylacetamide is sourced from PubChem (CID 46179093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).