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

C150H204N12O6 — CID 161150903

IUPACN-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
SMILESCCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1
InChIInChI=1S/6C25H34N2O/c6*1-3-25(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/h6*4-9,11-12,14-15,21,23H,3,10,13,16-20H2,1-2H3
InChIKeyUOQWQGMOWVWVOW-UHFFFAOYSA-N
MW2271.36 g/mol
LogP29.65
Rot. Bonds48

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

N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide (PubChem CID 161150903) has the molecular formula C150H204N12O6 and a molecular weight of 2271.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
PubChem CID161150903
Molecular FormulaC150H204N12O6
Molecular Weight2271.36 g/mol
Exact Mass2269.60
IUPAC NameN-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
SMILESCCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1
InChIInChI=1S/6C25H34N2O/c6*1-3-25(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/h6*4-9,11-12,14-15,21,23H,3,10,13,16-20H2,1-2H3
InChIKeyUOQWQGMOWVWVOW-UHFFFAOYSA-N
XLogP29.65
TPSA141.30 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds48
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.36
LogP ≤ 529.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 10271032
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
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
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-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide (CID 161150903) is N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide is CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is UOQWQGMOWVWVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/6C25H34N2O/c6*1-3-25(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/h6*4-9,11-12,14-15,21,23H,3,10,13,16-20H2,1-2H3.
What are the key properties of N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide?
N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 2271.36 g/mol, XLogP of 29.65, 48 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 161150903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).