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

C19H25ClN2O2 — CID 126775379

IUPAC(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1COc2ccc(Cl)cc2C1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H25ClN2O2/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/h3-4,10,13,15,17,21H,1-2,5-9,11-12H2
InChIKeyIEHLVNFZBQMNCB-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.88
Rot. Bonds4

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

(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 126775379) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID126775379
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1COc2ccc(Cl)cc2C1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H25ClN2O2/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/h3-4,10,13,15,17,21H,1-2,5-9,11-12H2
InChIKeyIEHLVNFZBQMNCB-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 126775379) is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(C1COc2ccc(Cl)cc2C1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is IEHLVNFZBQMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/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/h3-4,10,13,15,17,21H,1-2,5-9,11-12H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 348.87 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 126775379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).