4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

C23H27ClN2O3 — CID 95097997

IUPAC4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-16(2)25-22(27)18-9-11-19(12-10-18)29-15-17-6-5-13-26(14-17)23(28)20-7-3-4-8-21(20)24/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyIYYWOMDNKCQTIN-QGZVFWFLSA-N
MW414.93 g/mol
LogP4.41
Rot. Bonds6

About 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 95097997) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID95097997
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-16(2)25-22(27)18-9-11-19(12-10-18)29-15-17-6-5-13-26(14-17)23(28)20-7-3-4-8-21(20)24/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyIYYWOMDNKCQTIN-QGZVFWFLSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
4-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097967
4-[[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900710
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
2-chloro-N-[3-methyl-1-oxo-1-[3-(phenoxymethyl)piperidin-1-yl]butan-2-yl]benzamide
CID 86971269
4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097980
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (CID 95097997) is 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1.
What is the InChIKey of 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is IYYWOMDNKCQTIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-16(2)25-22(27)18-9-11-19(12-10-18)29-15-17-6-5-13-26(14-17)23(28)20-7-3-4-8-21(20)24/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 414.93 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 95097997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).