4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide

C19H29N3O2 — CID 119061368

IUPAC4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-21-11-5-6-16(15-21)14-20-18(23)22-12-9-19(24,10-13-22)17-7-3-2-4-8-17/h2-4,7-8,16,24H,5-6,9-15H2,1H3,(H,20,23)
InChIKeyGTHMNIWCWYZUBK-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds3

About 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide

4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 119061368) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
PubChem CID119061368
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-21-11-5-6-16(15-21)14-20-18(23)22-12-9-19(24,10-13-22)17-7-3-2-4-8-17/h2-4,7-8,16,24H,5-6,9-15H2,1H3,(H,20,23)
InChIKeyGTHMNIWCWYZUBK-UHFFFAOYSA-N
XLogP2.02
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 119061623
4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
CID 122559873
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 97197401
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide (CID 119061368) is 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide is CN1CCCC(CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1.
What is the InChIKey of 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is GTHMNIWCWYZUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-11-5-6-16(15-21)14-20-18(23)22-12-9-19(24,10-13-22)17-7-3-2-4-8-17/h2-4,7-8,16,24H,5-6,9-15H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide?
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 119061368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).