N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide

C21H30N2O3 — CID 118792594

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C21H30N2O3/c24-21(18-3-1-9-23(15-18)19-7-11-25-12-8-19)22-14-16-5-6-20-17(13-16)4-2-10-26-20/h5-6,13,18-19H,1-4,7-12,14-15H2,(H,22,24)
InChIKeyLMXXIGMVTOAIFE-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.52
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 118792594) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID118792594
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C21H30N2O3/c24-21(18-3-1-9-23(15-18)19-7-11-25-12-8-19)22-14-16-5-6-20-17(13-16)4-2-10-26-20/h5-6,13,18-19H,1-4,7-12,14-15H2,(H,22,24)
InChIKeyLMXXIGMVTOAIFE-UHFFFAOYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
(1R,3R,4S)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135095524
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
(2S)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125443999
(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96575804
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 91839671
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
(3R)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280642
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97204559

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide (CID 118792594) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide is O=C(NCc1ccc2c(c1)CCCO2)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is LMXXIGMVTOAIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-21(18-3-1-9-23(15-18)19-7-11-25-12-8-19)22-14-16-5-6-20-17(13-16)4-2-10-26-20/h5-6,13,18-19H,1-4,7-12,14-15H2,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 118792594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).