4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide

C20H29N3O2 — CID 22580756

IUPAC4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1COc2ccccc2C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(21-17-14-16-6-4-5-9-19(16)25-15-17)23-12-10-22(11-13-23)18-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10-15H2,(H,21,24)
InChIKeyADAMKPXELPCSIE-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.65
Rot. Bonds2

About 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide

4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide (PubChem CID 22580756) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide
PubChem CID22580756
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1COc2ccccc2C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(21-17-14-16-6-4-5-9-19(16)25-15-17)23-12-10-22(11-13-23)18-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10-15H2,(H,21,24)
InChIKeyADAMKPXELPCSIE-UHFFFAOYSA-N
XLogP2.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 22580782
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide
CID 124628939
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide
CID 94800690
methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate
CID 124845359
N-(3,4-dihydro-2H-chromen-3-yl)-1-propanoylpiperidine-2-carboxamide
CID 51090959
N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
CID 25461334
1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
CID 91649447

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide (CID 22580756) is 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide is O=C(NC1COc2ccccc2C1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide?
The InChIKey is ADAMKPXELPCSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(21-17-14-16-6-4-5-9-19(16)25-15-17)23-12-10-22(11-13-23)18-7-2-1-3-8-18/h4-6,9,17-18H,1-3,7-8,10-15H2,(H,21,24).
What are the key properties of 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide?
4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 22580756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).