1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide

C18H24N2O3 — CID 110741365

IUPAC1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2CCOc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-13(21)20-9-6-14(7-10-20)18(22)19-12-15-8-11-23-17-5-3-2-4-16(15)17/h2-5,14-15H,6-12H2,1H3,(H,19,22)
InChIKeyVKPITDDWUWCJMH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.93
Rot. Bonds3

About 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide

1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 110741365) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
PubChem CID110741365
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2CCOc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-13(21)20-9-6-14(7-10-20)18(22)19-12-15-8-11-23-17-5-3-2-4-16(15)17/h2-5,14-15H,6-12H2,1H3,(H,19,22)
InChIKeyVKPITDDWUWCJMH-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888
N-[2-(3,4-dihydro-2H-chromen-4-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115756467
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119156183
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate
CID 9193212
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 124618001
(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide
CID 166218708

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide (CID 110741365) is 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC2CCOc3ccccc32)CC1.
What is the InChIKey of 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VKPITDDWUWCJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)20-9-6-14(7-10-20)18(22)19-12-15-8-11-23-17-5-3-2-4-16(15)17/h2-5,14-15H,6-12H2,1H3,(H,19,22).
What are the key properties of 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide?
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110741365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).