(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C19H23ClN2O2 — CID 119625169

IUPAC(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H23ClN2O2/c20-16-3-4-18-14(10-16)9-15(12-24-18)19(23)22-7-5-17(6-8-22)21-11-13-1-2-13/h3-4,9-10,13,17,21H,1-2,5-8,11-12H2
InChIKeyZHIKMCRYVKNVQL-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.11
Rot. Bonds4

About (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 119625169) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID119625169
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H23ClN2O2/c20-16-3-4-18-14(10-16)9-15(12-24-18)19(23)22-7-5-17(6-8-22)21-11-13-1-2-13/h3-4,9-10,13,17,21H,1-2,5-8,11-12H2
InChIKeyZHIKMCRYVKNVQL-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279132
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 126775379
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973530
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623310
(3-chloro-4-iodophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 103807433
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 119625169) is (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is ZHIKMCRYVKNVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-16-3-4-18-14(10-16)9-15(12-24-18)19(23)22-7-5-17(6-8-22)21-11-13-1-2-13/h3-4,9-10,13,17,21H,1-2,5-8,11-12H2.
What are the key properties of (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 346.86 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119625169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).