N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide

C18H28N2O2 — CID 95187363

IUPACN-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2ccccc2OC(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-14(2)22-18-9-5-4-8-17(18)13-20-10-6-7-16(12-20)11-19-15(3)21/h4-5,8-9,14,16H,6-7,10-13H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyNCLJLIIEMUIDCU-INIZCTEOSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds6

About N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 95187363) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID95187363
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2ccccc2OC(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-14(2)22-18-9-5-4-8-17(18)13-20-10-6-7-16(12-20)11-19-15(3)21/h4-5,8-9,14,16H,6-7,10-13H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyNCLJLIIEMUIDCU-INIZCTEOSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 91920903
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 97085545
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
1-[[(3R)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 95228427
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide (CID 95187363) is N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(Cc2ccccc2OC(C)C)C1.
What is the InChIKey of N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is NCLJLIIEMUIDCU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)22-18-9-5-4-8-17(18)13-20-10-6-7-16(12-20)11-19-15(3)21/h4-5,8-9,14,16H,6-7,10-13H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95187363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).