N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide

C30H34N2O — CID 10478310

IUPACN-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2O/c33-29(31-30(25-12-6-2-7-13-25)26-14-8-3-9-15-26)20-23-16-18-32(19-17-23)22-27-21-28(27)24-10-4-1-5-11-24/h1-15,23,27-28,30H,16-22H2,(H,31,33)/t27-,28-/m0/s1
InChIKeyCTDRIAWHOKGBMH-NSOVKSMOSA-N
MW438.62 g/mol
LogP5.80
Rot. Bonds8

About N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide

N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide (PubChem CID 10478310) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide
PubChem CID10478310
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC NameN-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2O/c33-29(31-30(25-12-6-2-7-13-25)26-14-8-3-9-15-26)20-23-16-18-32(19-17-23)22-27-21-28(27)24-10-4-1-5-11-24/h1-15,23,27-28,30H,16-22H2,(H,31,33)/t27-,28-/m0/s1
InChIKeyCTDRIAWHOKGBMH-NSOVKSMOSA-N
XLogP5.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
CID 10320217
N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
CID 10344048
4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 29154047
N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 58933801
1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908286
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide
CID 10435803
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(1-propylpiperidin-4-yl)acetamide
CID 72872753
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide (CID 10478310) is N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide is O=C(CC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is CTDRIAWHOKGBMH-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H34N2O/c33-29(31-30(25-12-6-2-7-13-25)26-14-8-3-9-15-26)20-23-16-18-32(19-17-23)22-27-21-28(27)24-10-4-1-5-11-24/h1-15,23,27-28,30H,16-22H2,(H,31,33)/t27-,28-/m0/s1.
What are the key properties of N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide?
N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 438.62 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10478310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).