N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide

C25H32N2O2 — CID 162907254

IUPACN-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC1(O)CCN(CCCc2ccccc2)C(c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C25H32N2O2/c1-25(29)16-18-27(17-8-11-19-9-4-2-5-10-19)22(20-12-6-3-7-13-20)23(25)26-24(28)21-14-15-21/h2-7,9-10,12-13,21-23,29H,8,11,14-18H2,1H3,(H,26,28)
InChIKeyNKHFBCMKLMJUTF-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.71
Rot. Bonds7

About N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide

N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 162907254) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID162907254
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC1(O)CCN(CCCc2ccccc2)C(c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C25H32N2O2/c1-25(29)16-18-27(17-8-11-19-9-4-2-5-10-19)22(20-12-6-3-7-13-20)23(25)26-24(28)21-14-15-21/h2-7,9-10,12-13,21-23,29H,8,11,14-18H2,1H3,(H,26,28)
InChIKeyNKHFBCMKLMJUTF-UHFFFAOYSA-N
XLogP3.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 162799348
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162790397
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790730
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide
CID 125417085

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide (CID 162907254) is N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide is CC1(O)CCN(CCCc2ccccc2)C(c2ccccc2)C1NC(=O)C1CC1.
What is the InChIKey of N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is NKHFBCMKLMJUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-25(29)16-18-27(17-8-11-19-9-4-2-5-10-19)22(20-12-6-3-7-13-20)23(25)26-24(28)21-14-15-21/h2-7,9-10,12-13,21-23,29H,8,11,14-18H2,1H3,(H,26,28).
What are the key properties of N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162907254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).