5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one

C15H20N2O3 — CID 115307125

IUPAC5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20N2O3/c18-14-4-3-12(10-20-14)15(19)17-7-5-13(6-8-17)16-9-11-1-2-11/h3-4,10-11,13,16H,1-2,5-9H2
InChIKeyDWHILZFZBLRXSK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.24
Rot. Bonds4

About 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one

5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one (PubChem CID 115307125) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
PubChem CID115307125
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20N2O3/c18-14-4-3-12(10-20-14)15(19)17-7-5-13(6-8-17)16-9-11-1-2-11/h3-4,10-11,13,16H,1-2,5-9H2
InChIKeyDWHILZFZBLRXSK-UHFFFAOYSA-N
XLogP1.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminopiperidine-1-carbonyl)pyran-2-one
CID 43556219
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119624400
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
(3-chloro-4-iodophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 103807433
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 119624318
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-iodo-4-methylphenyl)methanone;hydrochloride
CID 119625200

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one (CID 115307125) is 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one is O=C(c1ccc(=O)oc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one?
The InChIKey is DWHILZFZBLRXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14-4-3-12(10-20-14)15(19)17-7-5-13(6-8-17)16-9-11-1-2-11/h3-4,10-11,13,16H,1-2,5-9H2.
What are the key properties of 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one?
5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 115307125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).