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

C17H27N3O — CID 99855727

IUPACN-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide
SMILESCCN1CC[C@@H](Nc2cc(NC(C)=O)ccc2C)[C@@H](C)C1
InChIInChI=1S/C17H27N3O/c1-5-20-9-8-16(13(3)11-20)19-17-10-15(18-14(4)21)7-6-12(17)2/h6-7,10,13,16,19H,5,8-9,11H2,1-4H3,(H,18,21)/t13-,16+/m0/s1
InChIKeyRCDQGAZSQPLMOW-XJKSGUPXSA-N
MW289.42 g/mol
LogP3.10
Rot. Bonds4

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

N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide (PubChem CID 99855727) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide
PubChem CID99855727
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide
SMILESCCN1CC[C@@H](Nc2cc(NC(C)=O)ccc2C)[C@@H](C)C1
InChIInChI=1S/C17H27N3O/c1-5-20-9-8-16(13(3)11-20)19-17-10-15(18-14(4)21)7-6-12(17)2/h6-7,10,13,16,19H,5,8-9,11H2,1-4H3,(H,18,21)/t13-,16+/m0/s1
InChIKeyRCDQGAZSQPLMOW-XJKSGUPXSA-N
XLogP3.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide
CID 129374009
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylphenyl]propanamide
CID 82823652
N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
CID 54981288
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
N-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898555
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000
N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43739606
N-[5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methylphenyl]acetamide
CID 82854082
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
CID 63162861

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide (CID 99855727) is N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide is CCN1CC[C@@H](Nc2cc(NC(C)=O)ccc2C)[C@@H](C)C1.
What is the InChIKey of N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide?
The InChIKey is RCDQGAZSQPLMOW-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-20-9-8-16(13(3)11-20)19-17-10-15(18-14(4)21)7-6-12(17)2/h6-7,10,13,16,19H,5,8-9,11H2,1-4H3,(H,18,21)/t13-,16+/m0/s1.
What are the key properties of N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide?
N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 99855727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).