N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide

C22H27ClN2O3 — CID 47532727

IUPACN-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
SMILESCCOc1ccccc1OC1CCN(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN2O3/c1-2-27-20-9-5-6-10-21(20)28-17-11-14-25(15-12-17)16-13-22(26)24-19-8-4-3-7-18(19)23/h3-10,17H,2,11-16H2,1H3,(H,24,26)
InChIKeyMMKWZOAEKVMQTA-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.61
Rot. Bonds8

About N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide

N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide (PubChem CID 47532727) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
PubChem CID47532727
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
SMILESCCOc1ccccc1OC1CCN(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN2O3/c1-2-27-20-9-5-6-10-21(20)28-17-11-14-25(15-12-17)16-13-22(26)24-19-8-4-3-7-18(19)23/h3-10,17H,2,11-16H2,1H3,(H,24,26)
InChIKeyMMKWZOAEKVMQTA-UHFFFAOYSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47073341
3-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 47532762
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide (CID 47532727) is N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide is CCOc1ccccc1OC1CCN(CCC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide?
The InChIKey is MMKWZOAEKVMQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-2-27-20-9-5-6-10-21(20)28-17-11-14-25(15-12-17)16-13-22(26)24-19-8-4-3-7-18(19)23/h3-10,17H,2,11-16H2,1H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide has a molecular weight of 402.92 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 47532727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).