(2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide

C19H26N2O3 — CID 95283443

IUPAC(2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C19H26N2O3/c22-18(20-16-8-9-16)17(14-5-2-1-3-6-14)21-10-4-7-15(13-21)19-23-11-12-24-19/h1-3,5-6,15-17,19H,4,7-13H2,(H,20,22)/t15-,17-/m0/s1
InChIKeyTUZOALZQXXNALB-RDJZCZTQSA-N
MW330.43 g/mol
LogP2.09
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide (PubChem CID 95283443) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide
PubChem CID95283443
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C19H26N2O3/c22-18(20-16-8-9-16)17(14-5-2-1-3-6-14)21-10-4-7-15(13-21)19-23-11-12-24-19/h1-3,5-6,15-17,19H,4,7-13H2,(H,20,22)/t15-,17-/m0/s1
InChIKeyTUZOALZQXXNALB-RDJZCZTQSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
(2S)-N-cyclopropyl-2-phenyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95298740
(2R)-N-cyclopropyl-2-phenyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 98755732
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2R)-N-cyclopropyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 98857991
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
CID 75461568
(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 94778967
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide (CID 95283443) is (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide is O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H](C2OCCO2)C1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is TUZOALZQXXNALB-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(20-16-8-9-16)17(14-5-2-1-3-6-14)21-10-4-7-15(13-21)19-23-11-12-24-19/h1-3,5-6,15-17,19H,4,7-13H2,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 330.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 95283443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).