[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

C19H27ClN2O — CID 98785255

IUPAC[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O/c1-3-14-12-22(19(23)15-8-9-15)11-10-18(14)21-13(2)16-6-4-5-7-17(16)20/h4-7,13-15,18,21H,3,8-12H2,1-2H3/t13-,14-,18+/m1/s1
InChIKeyHTSGLJDFMSEAQY-LBTNJELSSA-N
MW334.89 g/mol
LogP4.03
Rot. Bonds5

About [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 98785255) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID98785255
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O/c1-3-14-12-22(19(23)15-8-9-15)11-10-18(14)21-13(2)16-6-4-5-7-17(16)20/h4-7,13-15,18,21H,3,8-12H2,1-2H3/t13-,14-,18+/m1/s1
InChIKeyHTSGLJDFMSEAQY-LBTNJELSSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
CID 98785215
cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
CID 71927637
cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
CID 71927640
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097445
2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103245807
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]cyclobutane-1-carboxylic acid
CID 103260204
[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (CID 98785255) is [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C)c1ccccc1Cl.
What is the InChIKey of [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is HTSGLJDFMSEAQY-LBTNJELSSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-3-14-12-22(19(23)15-8-9-15)11-10-18(14)21-13(2)16-6-4-5-7-17(16)20/h4-7,13-15,18,21H,3,8-12H2,1-2H3/t13-,14-,18+/m1/s1.
What are the key properties of [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 334.89 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 98785255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).