N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide

C22H34N2O3 — CID 51946728

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-16(2)13-18-5-7-19(8-6-18)22(26)20-9-11-24(12-10-20)14-21(25)23-17(3)15-27-4/h5-8,16-17,20H,9-15H2,1-4H3,(H,23,25)/t17-/m0/s1
InChIKeyQPUILYPGAUDWPS-KRWDZBQOSA-N
MW374.53 g/mol
LogP2.93
Rot. Bonds9

About N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide

N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide (PubChem CID 51946728) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
PubChem CID51946728
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-16(2)13-18-5-7-19(8-6-18)22(26)20-9-11-24(12-10-20)14-21(25)23-17(3)15-27-4/h5-8,16-17,20H,9-15H2,1-4H3,(H,23,25)/t17-/m0/s1
InChIKeyQPUILYPGAUDWPS-KRWDZBQOSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
N-(methylcarbamoyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55850203
N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 60511176
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55739954
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 112841566
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
N-(1-methoxypropan-2-yl)-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853257
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63336209
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide (CID 51946728) is N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide is COC[C@H](C)NC(=O)CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The InChIKey is QPUILYPGAUDWPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(2)13-18-5-7-19(8-6-18)22(26)20-9-11-24(12-10-20)14-21(25)23-17(3)15-27-4/h5-8,16-17,20H,9-15H2,1-4H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide has a molecular weight of 374.53 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 51946728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).