2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide

C22H27N3O4 — CID 173252108

IUPAC2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
SMILESNC(=O)c1cc(OCc2ccccc2)ccc1CCC(=O)NN1CCC(O)CC1
InChIInChI=1S/C22H27N3O4/c23-22(28)20-14-19(29-15-16-4-2-1-3-5-16)8-6-17(20)7-9-21(27)24-25-12-10-18(26)11-13-25/h1-6,8,14,18,26H,7,9-13,15H2,(H2,23,28)(H,24,27)
InChIKeySXSPLOVLYMCYJC-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.78
Rot. Bonds8

About 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide

2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide (PubChem CID 173252108) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
PubChem CID173252108
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
SMILESNC(=O)c1cc(OCc2ccccc2)ccc1CCC(=O)NN1CCC(O)CC1
InChIInChI=1S/C22H27N3O4/c23-22(28)20-14-19(29-15-16-4-2-1-3-5-16)8-6-17(20)7-9-21(27)24-25-12-10-18(26)11-13-25/h1-6,8,14,18,26H,7,9-13,15H2,(H2,23,28)(H,24,27)
InChIKeySXSPLOVLYMCYJC-UHFFFAOYSA-N
XLogP1.78
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
CID 173251867
5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide
CID 18464238
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
ethane;4-phenylmethoxyphthalic acid
CID 90802135
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
2-oxo-1-[3-[3-(4-phenylmethoxyphenyl)propanoylamino]propyl]pyrrolidine-3-carboxamide
CID 23297608
1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737
2-(4-hydroxypiperidin-1-yl)-N-phenylmethoxyacetamide
CID 110881841
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
The IUPAC name of 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide (CID 173252108) is 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide.
What is the SMILES notation for 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
The canonical SMILES for 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide is NC(=O)c1cc(OCc2ccccc2)ccc1CCC(=O)NN1CCC(O)CC1.
What is the InChIKey of 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
The InChIKey is SXSPLOVLYMCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c23-22(28)20-14-19(29-15-16-4-2-1-3-5-16)8-6-17(20)7-9-21(27)24-25-12-10-18(26)11-13-25/h1-6,8,14,18,26H,7,9-13,15H2,(H2,23,28)(H,24,27).
What are the key properties of 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide has a molecular weight of 397.48 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide is sourced from PubChem (CID 173252108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).