3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide

C21H27N3O2 — CID 91838188

IUPAC3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-20-4-2-3-17(15-20)5-6-21(25)23-19-9-13-24(14-10-19)16-18-7-11-22-12-8-18/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3,(H,23,25)
InChIKeyPCBXMCXJYKSMMZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.80
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide

3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 91838188) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
PubChem CID91838188
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-20-4-2-3-17(15-20)5-6-21(25)23-19-9-13-24(14-10-19)16-18-7-11-22-12-8-18/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3,(H,23,25)
InChIKeyPCBXMCXJYKSMMZ-UHFFFAOYSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94820300
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 154783215

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide (CID 91838188) is 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide is COc1cccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is PCBXMCXJYKSMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-4-2-3-17(15-20)5-6-21(25)23-19-9-13-24(14-10-19)16-18-7-11-22-12-8-18/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3,(H,23,25).
What are the key properties of 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91838188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).