(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide

C18H24N2O3 — CID 94800690

IUPAC(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C18H24N2O3/c1-2-17(21)20-10-6-5-8-15(20)18(22)19-14-11-13-7-3-4-9-16(13)23-12-14/h3-4,7,9,14-15H,2,5-6,8,10-12H2,1H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyTXUYKGOSYXQQDB-CABCVRRESA-N
MW316.40 g/mol
LogP1.90
Rot. Bonds3

About (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide

(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide (PubChem CID 94800690) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide
PubChem CID94800690
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C18H24N2O3/c1-2-17(21)20-10-6-5-8-15(20)18(22)19-14-11-13-7-3-4-9-16(13)23-12-14/h3-4,7,9,14-15H,2,5-6,8,10-12H2,1H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyTXUYKGOSYXQQDB-CABCVRRESA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide (CID 94800690) is (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1COc2ccccc2C1.
What is the InChIKey of (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide?
The InChIKey is TXUYKGOSYXQQDB-CABCVRRESA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-17(21)20-10-6-5-8-15(20)18(22)19-14-11-13-7-3-4-9-16(13)23-12-14/h3-4,7,9,14-15H,2,5-6,8,10-12H2,1H3,(H,19,22)/t14-,15+/m1/s1.
What are the key properties of (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide?
(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 94800690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).