N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide

C19H26N4O2 — CID 125178153

IUPACN-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)N[C@@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C19H26N4O2/c24-18-7-1-5-16(13-18)14-22-10-2-6-17(15-22)21-19(25)8-3-11-23-12-4-9-20-23/h1,4-5,7,9,12-13,17,24H,2-3,6,8,10-11,14-15H2,(H,21,25)/t17-/m1/s1
InChIKeySCBIALBGOAZVBU-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds7

About N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide

N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide (PubChem CID 125178153) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
PubChem CID125178153
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)N[C@@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C19H26N4O2/c24-18-7-1-5-16(13-18)14-22-10-2-6-17(15-22)21-19(25)8-3-11-23-12-4-9-20-23/h1,4-5,7,9,12-13,17,24H,2-3,6,8,10-11,14-15H2,(H,21,25)/t17-/m1/s1
InChIKeySCBIALBGOAZVBU-QGZVFWFLSA-N
XLogP2.15
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 125168981
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
3-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 131934062
2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 131903383
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 42592717
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131901421

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide (CID 125178153) is N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)N[C@@H]1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide?
The InChIKey is SCBIALBGOAZVBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-7-1-5-16(13-18)14-22-10-2-6-17(15-22)21-19(25)8-3-11-23-12-4-9-20-23/h1,4-5,7,9,12-13,17,24H,2-3,6,8,10-11,14-15H2,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide?
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide has a molecular weight of 342.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 125178153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).