(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide

C19H29N3O2 — CID 97093430

IUPAC(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide
SMILESCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)Cc2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H29N3O2/c1-14-12-22(16(3)23)11-10-18(14)20-15(2)19(24)21(4)13-17-8-6-5-7-9-17/h5-9,14-15,18,20H,10-13H2,1-4H3/t14-,15+,18+/m1/s1
InChIKeyFRPYXKSYLWZGSD-VKJFTORMSA-N
MW331.46 g/mol
LogP1.88
Rot. Bonds5

About (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide

(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide (PubChem CID 97093430) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide
PubChem CID97093430
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide
SMILESCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)Cc2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H29N3O2/c1-14-12-22(16(3)23)11-10-18(14)20-15(2)19(24)21(4)13-17-8-6-5-7-9-17/h5-9,14-15,18,20H,10-13H2,1-4H3/t14-,15+,18+/m1/s1
InChIKeyFRPYXKSYLWZGSD-VKJFTORMSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide 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

1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 98785189
(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 98890548
1-[(3S,4S)-4-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024506
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 97217564
1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
CID 58075022
1-[(3R,4S)-4-(1,3-benzodioxol-4-ylmethylamino)-3-methylpiperidin-1-yl]ethanone
CID 97093592
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide?
The IUPAC name of (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide (CID 97093430) is (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide is CC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)Cc2ccccc2)[C@H](C)C1.
What is the InChIKey of (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide?
The InChIKey is FRPYXKSYLWZGSD-VKJFTORMSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-12-22(16(3)23)11-10-18(14)20-15(2)19(24)21(4)13-17-8-6-5-7-9-17/h5-9,14-15,18,20H,10-13H2,1-4H3/t14-,15+,18+/m1/s1.
What are the key properties of (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide?
(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 97093430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).