N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide

C20H27N3O3 — CID 110812686

IUPACN-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C20H27N3O3/c24-19(16-7-8-18-15(14-16)4-3-13-26-18)22-9-11-23(12-10-22)20(25)21-17-5-1-2-6-17/h7-8,14,17H,1-6,9-13H2,(H,21,25)
InChIKeyRDARYAVTRAXDSN-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.42
Rot. Bonds2

About N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide

N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide (PubChem CID 110812686) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
PubChem CID110812686
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C20H27N3O3/c24-19(16-7-8-18-15(14-16)4-3-13-26-18)22-9-11-23(12-10-22)20(25)21-17-5-1-2-6-17/h7-8,14,17H,1-6,9-13H2,(H,21,25)
InChIKeyRDARYAVTRAXDSN-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-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813382
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
4-(3,4-dihydro-2H-chromene-6-carbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813648
N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 118788009
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
3,7-bis(3,4-dihydro-2H-chromene-6-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 142768959
N-cyclohexyl-4-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperazine-1-carboxamide
CID 166183686

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide (CID 110812686) is N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide?
The InChIKey is RDARYAVTRAXDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(16-7-8-18-15(14-16)4-3-13-26-18)22-9-11-23(12-10-22)20(25)21-17-5-1-2-6-17/h7-8,14,17H,1-6,9-13H2,(H,21,25).
What are the key properties of N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide?
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-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-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).