(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide

C19H27N3O2 — CID 97026831

IUPAC(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-2-13-12-22(19(24)15-8-9-15)11-10-16(13)21-17(18(20)23)14-6-4-3-5-7-14/h3-7,13,15-17,21H,2,8-12H2,1H3,(H2,20,23)/t13-,16+,17+/m1/s1
InChIKeyFOUWHUPCKRBCST-COXVUDFISA-N
MW329.44 g/mol
LogP1.84
Rot. Bonds6

About (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide

(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide (PubChem CID 97026831) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide
PubChem CID97026831
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-2-13-12-22(19(24)15-8-9-15)11-10-16(13)21-17(18(20)23)14-6-4-3-5-7-14/h3-7,13,15-17,21H,2,8-12H2,1H3,(H2,20,23)/t13-,16+,17+/m1/s1
InChIKeyFOUWHUPCKRBCST-COXVUDFISA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide with MolForge

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Related Compounds

cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
CID 71927637
[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98785255
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-[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
(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide
CID 97026816
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
N-[(3R,4S)-1-(cyclopent-3-ene-1-carbonyl)-3-ethylpiperidin-4-yl]-3-phenylprop-2-enamide
CID 171321956
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119278567
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
[(3S,4S)-4-(2H-chromen-3-ylmethylamino)-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97026862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide (CID 97026831) is (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide is CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide?
The InChIKey is FOUWHUPCKRBCST-COXVUDFISA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-13-12-22(19(24)15-8-9-15)11-10-16(13)21-17(18(20)23)14-6-4-3-5-7-14/h3-7,13,15-17,21H,2,8-12H2,1H3,(H2,20,23)/t13-,16+,17+/m1/s1.
What are the key properties of (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide?
(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide has a molecular weight of 329.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 97026831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).