1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone

C21H28N2O — CID 97097185

IUPAC1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O/c1-4-17-14-23(16(3)24)12-11-21(17)22-15(2)19-10-9-18-7-5-6-8-20(18)13-19/h5-10,13,15,17,21-22H,4,11-12,14H2,1-3H3/t15-,17+,21+/m0/s1
InChIKeyYDUSXYLTWIEXSB-LUQKVYGDSA-N
MW324.47 g/mol
LogP4.14
Rot. Bonds4

About 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone

1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone (PubChem CID 97097185) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
PubChem CID97097185
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O/c1-4-17-14-23(16(3)24)12-11-21(17)22-15(2)19-10-9-18-7-5-6-8-20(18)13-19/h5-10,13,15,17,21-22H,4,11-12,14H2,1-3H3/t15-,17+,21+/m0/s1
InChIKeyYDUSXYLTWIEXSB-LUQKVYGDSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
CID 98772851
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
CID 71927640
3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid
CID 170313821
1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71927405
[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98785255
(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide
CID 124727498
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-ethylpiperidin-1-yl]ethanone
CID 75373846
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 98791446
1-[(3R,4S)-4-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024489
cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
CID 98785215

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone (CID 97097185) is 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone is CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone?
The InChIKey is YDUSXYLTWIEXSB-LUQKVYGDSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-17-14-23(16(3)24)12-11-21(17)22-15(2)19-10-9-18-7-5-6-8-20(18)13-19/h5-10,13,15,17,21-22H,4,11-12,14H2,1-3H3/t15-,17+,21+/m0/s1.
What are the key properties of 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone?
1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone has a molecular weight of 324.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 97097185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).