N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide

C22H28N2O3 — CID 51123832

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
SMILESCOc1cccc(CN2CCC(NC(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-21-9-5-6-18(16-21)17-24-13-10-19(11-14-24)23-22(25)12-15-27-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,23,25)
InChIKeyAETXNUBPOHIRCY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.24
Rot. Bonds8

About N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide (PubChem CID 51123832) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
PubChem CID51123832
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
SMILESCOc1cccc(CN2CCC(NC(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-21-9-5-6-18(16-21)17-24-13-10-19(11-14-24)23-22(25)12-15-27-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,23,25)
InChIKeyAETXNUBPOHIRCY-UHFFFAOYSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94820300
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 55945963
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 154783215
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide (CID 51123832) is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide is COc1cccc(CN2CCC(NC(=O)CCOc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide?
The InChIKey is AETXNUBPOHIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-21-9-5-6-18(16-21)17-24-13-10-19(11-14-24)23-22(25)12-15-27-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,23,25).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide?
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 51123832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).