N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide

C20H27N3O3 — CID 118788009

IUPACN-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H27N3O3/c24-19(16-5-6-18-15(14-16)4-3-13-26-18)21-17-7-11-23(12-8-17)20(25)22-9-1-2-10-22/h5-6,14,17H,1-4,7-13H2,(H,21,24)
InChIKeyYOFKKGVLJBUAME-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.42
Rot. Bonds2

About N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide

N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 118788009) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID118788009
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H27N3O3/c24-19(16-5-6-18-15(14-16)4-3-13-26-18)21-17-7-11-23(12-8-17)20(25)22-9-1-2-10-22/h5-6,14,17H,1-4,7-13H2,(H,21,24)
InChIKeyYOFKKGVLJBUAME-UHFFFAOYSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
N-(3-aminocyclopentyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 115272843
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 136662489
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 94796962
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 87020213

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 118788009) is N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide is O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is YOFKKGVLJBUAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(16-5-6-18-15(14-16)4-3-13-26-18)21-17-7-11-23(12-8-17)20(25)22-9-1-2-10-22/h5-6,14,17H,1-4,7-13H2,(H,21,24).
What are the key properties of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 118788009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).