N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide

C24H29ClN2O3 — CID 108565214

IUPACN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H29ClN2O3/c1-16(2)18-4-6-19(7-5-18)23(28)26-21-12-14-27(15-13-21)24(29)17(3)30-22-10-8-20(25)9-11-22/h4-11,16-17,21H,12-15H2,1-3H3,(H,26,28)
InChIKeyKFEGYUQLMAWQMZ-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.65
Rot. Bonds6

About N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide (PubChem CID 108565214) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
PubChem CID108565214
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H29ClN2O3/c1-16(2)18-4-6-19(7-5-18)23(28)26-21-12-14-27(15-13-21)24(29)17(3)30-22-10-8-20(25)9-11-22/h4-11,16-17,21H,12-15H2,1-3H3,(H,26,28)
InChIKeyKFEGYUQLMAWQMZ-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108556193
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555019
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544785

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide (CID 108565214) is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide is CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The InChIKey is KFEGYUQLMAWQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-16(2)18-4-6-19(7-5-18)23(28)26-21-12-14-27(15-13-21)24(29)17(3)30-22-10-8-20(25)9-11-22/h4-11,16-17,21H,12-15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide has a molecular weight of 428.96 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 108565214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).