2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide

C17H21ClN2O3 — CID 110819750

IUPAC2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCO2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN2O3/c18-14-5-2-1-4-13(14)16(21)19-12-7-9-20(10-8-12)17(22)15-6-3-11-23-15/h1-2,4-5,12,15H,3,6-11H2,(H,19,21)
InChIKeyLLSWIXXMYHRTMI-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide

2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 110819750) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID110819750
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCO2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN2O3/c18-14-5-2-1-4-13(14)16(21)19-12-7-9-20(10-8-12)17(22)15-6-3-11-23-15/h1-2,4-5,12,15H,3,6-11H2,(H,19,21)
InChIKeyLLSWIXXMYHRTMI-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
CID 108553687
2-chloro-N-[2-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]ethyl]benzamide
CID 111301625
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021
2-chloro-N-cyclopentylbenzamide
CID 669043
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide (CID 110819750) is 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)C2CCCO2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is LLSWIXXMYHRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-14-5-2-1-4-13(14)16(21)19-12-7-9-20(10-8-12)17(22)15-6-3-11-23-15/h1-2,4-5,12,15H,3,6-11H2,(H,19,21).
What are the key properties of 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 336.82 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110819750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).