N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide

C25H34N2O — CID 10271032

IUPACN-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
SMILESCCC(=O)N(CC1CCCN(CCc2ccccc2)C1)[C@H](C)c1ccccc1
InChIInChI=1S/C25H34N2O/c1-3-25(28)27(21(2)24-14-8-5-9-15-24)20-23-13-10-17-26(19-23)18-16-22-11-6-4-7-12-22/h4-9,11-12,14-15,21,23H,3,10,13,16-20H2,1-2H3/t21-,23?/m1/s1
InChIKeyUGPDZNDSJCXCLQ-FKHAVUOCSA-N
MW378.56 g/mol
LogP4.94
Rot. Bonds8

About N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide

N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide (PubChem CID 10271032) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
PubChem CID10271032
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
SMILESCCC(=O)N(CC1CCCN(CCc2ccccc2)C1)[C@H](C)c1ccccc1
InChIInChI=1S/C25H34N2O/c1-3-25(28)27(21(2)24-14-8-5-9-15-24)20-23-13-10-17-26(19-23)18-16-22-11-6-4-7-12-22/h4-9,11-12,14-15,21,23H,3,10,13,16-20H2,1-2H3/t21-,23?/m1/s1
InChIKeyUGPDZNDSJCXCLQ-FKHAVUOCSA-N
XLogP4.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 161150903
benzyl 3-[[1-phenylethyl(propanoyl)amino]methyl]piperidine-1-carboxylate
CID 59807157
N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
CID 142167405
N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
CID 45178746
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96552793

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide (CID 10271032) is N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide is CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is UGPDZNDSJCXCLQ-FKHAVUOCSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-25(28)27(21(2)24-14-8-5-9-15-24)20-23-13-10-17-26(19-23)18-16-22-11-6-4-7-12-22/h4-9,11-12,14-15,21,23H,3,10,13,16-20H2,1-2H3/t21-,23?/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 378.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 10271032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).