2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide

C16H21ClN2O2 — CID 18135825

IUPAC2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCC1CCCN(C(=O)CCNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c1-12-5-4-10-19(11-12)15(20)8-9-18-16(21)13-6-2-3-7-14(13)17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,21)
InChIKeyTUWCEUXKVDTOIR-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide

2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide (PubChem CID 18135825) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
PubChem CID18135825
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCC1CCCN(C(=O)CCNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c1-12-5-4-10-19(11-12)15(20)8-9-18-16(21)13-6-2-3-7-14(13)17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,21)
InChIKeyTUWCEUXKVDTOIR-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide (CID 18135825) is 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide is CC1CCCN(C(=O)CCNC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is TUWCEUXKVDTOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12-5-4-10-19(11-12)15(20)8-9-18-16(21)13-6-2-3-7-14(13)17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 308.81 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 18135825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).