2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide

C29H33N3O3 — CID 173251867

IUPAC2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
SMILESNC(=O)c1cc(OCc2ccccc2)ccc1CCC(=O)N(Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C29H33N3O3/c30-29(34)27-19-26(35-21-23-9-5-2-6-10-23)13-11-24(27)12-14-28(33)32(25-15-17-31-18-16-25)20-22-7-3-1-4-8-22/h1-11,13,19,25,31H,12,14-18,20-21H2,(H2,30,34)
InChIKeyAWHOJVSJKZMLQJ-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.08
Rot. Bonds10

About 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide

2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide (PubChem CID 173251867) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
PubChem CID173251867
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
SMILESNC(=O)c1cc(OCc2ccccc2)ccc1CCC(=O)N(Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C29H33N3O3/c30-29(34)27-19-26(35-21-23-9-5-2-6-10-23)13-11-24(27)12-14-28(33)32(25-15-17-31-18-16-25)20-22-7-3-1-4-8-22/h1-11,13,19,25,31H,12,14-18,20-21H2,(H2,30,34)
InChIKeyAWHOJVSJKZMLQJ-UHFFFAOYSA-N
XLogP4.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-hydroxypiperidin-1-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
CID 173252108
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 174510501
2-(2-phenylmethoxyphenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119825911
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
CID 167780143
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
The IUPAC name of 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide (CID 173251867) is 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide.
What is the SMILES notation for 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
The canonical SMILES for 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide is NC(=O)c1cc(OCc2ccccc2)ccc1CCC(=O)N(Cc1ccccc1)C1CCNCC1.
What is the InChIKey of 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
The InChIKey is AWHOJVSJKZMLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c30-29(34)27-19-26(35-21-23-9-5-2-6-10-23)13-11-24(27)12-14-28(33)32(25-15-17-31-18-16-25)20-22-7-3-1-4-8-22/h1-11,13,19,25,31H,12,14-18,20-21H2,(H2,30,34).
What are the key properties of 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide?
2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide has a molecular weight of 471.60 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide is sourced from PubChem (CID 173251867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).