N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide

C19H30N2O2 — CID 111112699

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
SMILESCC1CCN(CC(O)CNC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-16-10-12-21(13-11-16)15-18(22)14-20-19(23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,16,18,22H,5,8-15H2,1H3,(H,20,23)
InChIKeyDNRYIPTYNZASQD-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.22
Rot. Bonds8

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide (PubChem CID 111112699) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
PubChem CID111112699
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
SMILESCC1CCN(CC(O)CNC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-16-10-12-21(13-11-16)15-18(22)14-20-19(23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,16,18,22H,5,8-15H2,1H3,(H,20,23)
InChIKeyDNRYIPTYNZASQD-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide
CID 111860618
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
N-(2,3-dihydroxypropyl)-4-phenylbutanamide
CID 66177076
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111368
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide (CID 111112699) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide is CC1CCN(CC(O)CNC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide?
The InChIKey is DNRYIPTYNZASQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-10-12-21(13-11-16)15-18(22)14-20-19(23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,16,18,22H,5,8-15H2,1H3,(H,20,23).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide is sourced from PubChem (CID 111112699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).