N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide

C9H18N2O — CID 129381532

IUPACN-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCNC[C@@H]1C
InChIInChI=1S/C9H18N2O/c1-7-5-10-4-3-9(7)6-11-8(2)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)/t7-,9+/m0/s1
InChIKeyZRRFHSMIQHDIIX-IONNQARKSA-N
MW170.26 g/mol
LogP0.37
Rot. Bonds2

About N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide

N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide (PubChem CID 129381532) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
PubChem CID129381532
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCNC[C@@H]1C
InChIInChI=1S/C9H18N2O/c1-7-5-10-4-3-9(7)6-11-8(2)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)/t7-,9+/m0/s1
InChIKeyZRRFHSMIQHDIIX-IONNQARKSA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[(3R,4S)-3-methylpiperidin-4-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

propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CID 114700132
1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 166259351
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
CID 103019709
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 114226274
1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 114700112
N-[(3-methylpiperidin-4-yl)methyl]-1,1-dioxothiane-2-carboxamide
CID 114699924
2-(2,6-difluorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]acetamide
CID 114700053
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 114700062
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide (CID 129381532) is N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide is CC(=O)NC[C@H]1CCNC[C@@H]1C.
What is the InChIKey of N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide?
The InChIKey is ZRRFHSMIQHDIIX-IONNQARKSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-5-10-4-3-9(7)6-11-8(2)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)/t7-,9+/m0/s1.
What are the key properties of N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide?
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 129381532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).