(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide

C20H31N3O2 — CID 98890548

IUPAC(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
SMILESCC(=O)N1CC[C@H](N[C@H](C)C(=O)N[C@H](C)c2ccccc2C)[C@@H](C)C1
InChIInChI=1S/C20H31N3O2/c1-13-8-6-7-9-18(13)15(3)22-20(25)16(4)21-19-10-11-23(17(5)24)12-14(19)2/h6-9,14-16,19,21H,10-12H2,1-5H3,(H,22,25)/t14-,15+,16+,19-/m0/s1
InChIKeyOLTLPHRJZIECJP-MKSNKDDYSA-N
MW345.49 g/mol
LogP2.41
Rot. Bonds5

About (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide

(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide (PubChem CID 98890548) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
PubChem CID98890548
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
SMILESCC(=O)N1CC[C@H](N[C@H](C)C(=O)N[C@H](C)c2ccccc2C)[C@@H](C)C1
InChIInChI=1S/C20H31N3O2/c1-13-8-6-7-9-18(13)15(3)22-20(25)16(4)21-19-10-11-23(17(5)24)12-14(19)2/h6-9,14-16,19,21H,10-12H2,1-5H3,(H,22,25)/t14-,15+,16+,19-/m0/s1
InChIKeyOLTLPHRJZIECJP-MKSNKDDYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide with MolForge

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Related Compounds

1-[(3S,4S)-4-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024506
(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide
CID 97093430
N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 83206943
(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 97217564
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[(1S)-3-methyl-1-(2-methylphenyl)butyl]urea
CID 97072666
2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 79874604
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
1-[(3R,4S)-4-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024489
1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 98785189
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide
CID 162424010

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide (CID 98890548) is (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide is CC(=O)N1CC[C@H](N[C@H](C)C(=O)N[C@H](C)c2ccccc2C)[C@@H](C)C1.
What is the InChIKey of (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is OLTLPHRJZIECJP-MKSNKDDYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13-8-6-7-9-18(13)15(3)22-20(25)16(4)21-19-10-11-23(17(5)24)12-14(19)2/h6-9,14-16,19,21H,10-12H2,1-5H3,(H,22,25)/t14-,15+,16+,19-/m0/s1.
What are the key properties of (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
(2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 98890548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).