1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide

C19H24N2O3 — CID 91953975

IUPAC1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C19H24N2O3/c1-13(2)20-18(22)14-7-9-21(10-8-14)19(23)16-11-15-5-3-4-6-17(15)24-12-16/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyOXXUPCHQFQUOSM-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.23
Rot. Bonds3

About 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide

1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 91953975) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID91953975
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C19H24N2O3/c1-13(2)20-18(22)14-7-9-21(10-8-14)19(23)16-11-15-5-3-4-6-17(15)24-12-16/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyOXXUPCHQFQUOSM-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
1-(2H-chromene-3-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 86849263
2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide
CID 126203159
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110887040
2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279132
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030

Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 91953975) is 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(=O)C2=Cc3ccccc3OC2)CC1.
What is the InChIKey of 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is OXXUPCHQFQUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)20-18(22)14-7-9-21(10-8-14)19(23)16-11-15-5-3-4-6-17(15)24-12-16/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,20,22).
What are the key properties of 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91953975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).