azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone

C22H28N2O3 — CID 17475798

IUPACazepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C22H28N2O3/c25-21(23-11-5-1-2-6-12-23)17-9-13-24(14-10-17)22(26)19-15-18-7-3-4-8-20(18)27-16-19/h3-4,7-8,15,17H,1-2,5-6,9-14,16H2
InChIKeySAMDVWNMRBWAMF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.10
Rot. Bonds2

About azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 17475798) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
PubChem CID17475798
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nameazepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C22H28N2O3/c25-21(23-11-5-1-2-6-12-23)17-9-13-24(14-10-17)22(26)19-15-18-7-3-4-8-20(18)27-16-19/h3-4,7-8,15,17H,1-2,5-6,9-14,16H2
InChIKeySAMDVWNMRBWAMF-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953975
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
[(2S)-4-(2H-chromene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 9393976
[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 32890239
1-(2H-chromene-3-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 86849263
2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
CID 22578416
1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide
CID 126203159
2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone (CID 17475798) is azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone is O=C(C1=Cc2ccccc2OC1)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is SAMDVWNMRBWAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-21(23-11-5-1-2-6-12-23)17-9-13-24(14-10-17)22(26)19-15-18-7-3-4-8-20(18)27-16-19/h3-4,7-8,15,17H,1-2,5-6,9-14,16H2.
What are the key properties of azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 17475798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).