1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one

C16H29N3O — CID 138808378

IUPAC1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
SMILESCN1CC(CN2CCC(N3CCCC3)CC2)CCC1=O
InChIInChI=1S/C16H29N3O/c1-17-12-14(4-5-16(17)20)13-18-10-6-15(7-11-18)19-8-2-3-9-19/h14-15H,2-13H2,1H3
InChIKeyGIYZRLONNFEDGW-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one

1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one (PubChem CID 138808378) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
PubChem CID138808378
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
SMILESCN1CC(CN2CCC(N3CCCC3)CC2)CCC1=O
InChIInChI=1S/C16H29N3O/c1-17-12-14(4-5-16(17)20)13-18-10-6-15(7-11-18)19-8-2-3-9-19/h14-15H,2-13H2,1H3
InChIKeyGIYZRLONNFEDGW-UHFFFAOYSA-N
XLogP1.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 138808942
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002
1-methyl-5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]piperidin-2-one
CID 138383037
(5R)-5-ethyl-1-methylpiperidin-2-one
CID 170386664
2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 138807413
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572
5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one
CID 121160689
5-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-ylmethyl)-1-methylpiperidin-2-one
CID 139599312
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one (CID 138808378) is 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one is CN1CC(CN2CCC(N3CCCC3)CC2)CCC1=O.
What is the InChIKey of 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one?
The InChIKey is GIYZRLONNFEDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-17-12-14(4-5-16(17)20)13-18-10-6-15(7-11-18)19-8-2-3-9-19/h14-15H,2-13H2,1H3.
What are the key properties of 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one?
1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one has a molecular weight of 279.43 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 138808378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).