4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide

C30H45N3O2 — CID 10140633

IUPAC4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)CCCNCC(CCN1CCC(C)(c2cccc(O)c2)C(C)C1)Cc1ccccc1
InChIInChI=1S/C30H45N3O2/c1-4-32-29(35)14-9-17-31-22-26(20-25-10-6-5-7-11-25)15-18-33-19-16-30(3,24(2)23-33)27-12-8-13-28(34)21-27/h5-8,10-13,21,24,26,31,34H,4,9,14-20,22-23H2,1-3H3,(H,32,35)
InChIKeyCTZGQDSFFRSQND-UHFFFAOYSA-N
MW479.71 g/mol
LogP4.75
Rot. Bonds13

About 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide

4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide (PubChem CID 10140633) has the molecular formula C30H45N3O2 and a molecular weight of 479.71 g/mol. Its IUPAC name is 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide
PubChem CID10140633
Molecular FormulaC30H45N3O2
Molecular Weight479.71 g/mol
Exact Mass479.35
IUPAC Name4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)CCCNCC(CCN1CCC(C)(c2cccc(O)c2)C(C)C1)Cc1ccccc1
InChIInChI=1S/C30H45N3O2/c1-4-32-29(35)14-9-17-31-22-26(20-25-10-6-5-7-11-25)15-18-33-19-16-30(3,24(2)23-33)27-12-8-13-28(34)21-27/h5-8,10-13,21,24,26,31,34H,4,9,14-20,22-23H2,1-3H3,(H,32,35)
InChIKeyCTZGQDSFFRSQND-UHFFFAOYSA-N
XLogP4.75
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.71
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide with MolForge

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Related Compounds

ethyl 2-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]acetate
CID 10161241
propan-2-yl 2-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]acetate
CID 10205240
3-[3,4-dimethyl-1-[3-(2-methylpropylamino)propyl]piperidin-4-yl]phenol
CID 19735901
3-[(3R,4S)-3,4-dimethyl-1-[3-(2-methylpropylamino)propyl]piperidin-4-yl]phenol
CID 18648607
2-benzyl-N-[2-(benzylamino)-2-oxoethyl]-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide
CID 11168505
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
(5S)-5-benzyl-6-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-4-oxohexanoic acid
CID 158625894
2-[3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl-methylamino]-3-phenylpropanoic acid
CID 57340771
(2S)-2-[3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoylamino]pentanedioic acid
CID 50943207
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
methyl 2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 68777820
2-benzyl-3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide;hydrate;hydrochloride
CID 67690460

Frequently Asked Questions

What is the IUPAC name of 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide?
The IUPAC name of 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide (CID 10140633) is 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide?
The canonical SMILES for 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide is CCNC(=O)CCCNCC(CCN1CCC(C)(c2cccc(O)c2)C(C)C1)Cc1ccccc1.
What is the InChIKey of 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide?
The InChIKey is CTZGQDSFFRSQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O2/c1-4-32-29(35)14-9-17-31-22-26(20-25-10-6-5-7-11-25)15-18-33-19-16-30(3,24(2)23-33)27-12-8-13-28(34)21-27/h5-8,10-13,21,24,26,31,34H,4,9,14-20,22-23H2,1-3H3,(H,32,35).
What are the key properties of 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide?
4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide has a molecular weight of 479.71 g/mol, XLogP of 4.75, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-benzyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 10140633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).