[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone

C19H23N3O — CID 119624681

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H23N3O/c23-19(16-5-6-18-15(12-16)2-1-9-20-18)22-10-7-17(8-11-22)21-13-14-3-4-14/h1-2,5-6,9,12,14,17,21H,3-4,7-8,10-11,13H2
InChIKeyKYPIPXQPGIASJP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.84
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 119624681) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID119624681
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H23N3O/c23-19(16-5-6-18-15(12-16)2-1-9-20-18)22-10-7-17(8-11-22)21-13-14-3-4-14/h1-2,5-6,9,12,14,17,21H,3-4,7-8,10-11,13H2
InChIKeyKYPIPXQPGIASJP-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
CID 42531267
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
(3-chloro-4-iodophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 103807433
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119622263
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119624400

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone (CID 119624681) is [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone is O=C(c1ccc2ncccc2c1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is KYPIPXQPGIASJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(16-5-6-18-15(12-16)2-1-9-20-18)22-10-7-17(8-11-22)21-13-14-3-4-14/h1-2,5-6,9,12,14,17,21H,3-4,7-8,10-11,13H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 309.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 119624681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).