N-[(1-phenacylpiperidin-4-yl)methyl]acetamide

C16H22N2O2 — CID 102736676

IUPACN-[(1-phenacylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-13(19)17-11-14-7-9-18(10-8-14)12-16(20)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,17,19)
InChIKeyKIHPQQFOBNTKCM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.72
Rot. Bonds5

About N-[(1-phenacylpiperidin-4-yl)methyl]acetamide

N-[(1-phenacylpiperidin-4-yl)methyl]acetamide (PubChem CID 102736676) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1-phenacylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-phenacylpiperidin-4-yl)methyl]acetamide
PubChem CID102736676
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1-phenacylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-13(19)17-11-14-7-9-18(10-8-14)12-16(20)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,17,19)
InChIKeyKIHPQQFOBNTKCM-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide
CID 102736682
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone
CID 59305185
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626
ethyl 4-[4-(acetamidomethyl)piperidin-1-yl]-3-oxobutanoate
CID 102736665

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenacylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-phenacylpiperidin-4-yl)methyl]acetamide (CID 102736676) is N-[(1-phenacylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-phenacylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-phenacylpiperidin-4-yl)methyl]acetamide is CC(=O)NCC1CCN(CC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1-phenacylpiperidin-4-yl)methyl]acetamide?
The InChIKey is KIHPQQFOBNTKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)17-11-14-7-9-18(10-8-14)12-16(20)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,17,19).
What are the key properties of N-[(1-phenacylpiperidin-4-yl)methyl]acetamide?
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenacylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 102736676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).