[1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H29N3O — CID 123181827

IUPAC[1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CNCCC1N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29N3O/c1-13-12-17-7-4-15(13)18-10-5-14(6-11-18)16(20)19-8-2-3-9-19/h13-15,17H,2-12H2,1H3
InChIKeyUBIDHZCAAMHFAG-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.32
Rot. Bonds2

About [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 123181827) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID123181827
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CNCCC1N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29N3O/c1-13-12-17-7-4-15(13)18-10-5-14(6-11-18)16(20)19-8-2-3-9-19/h13-15,17H,2-12H2,1H3
InChIKeyUBIDHZCAAMHFAG-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(4-Piperidinyl)ethyl)-2-pyrrolidinone
CID 4712456
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
1-(Piperidin-4-ylcarbonyl)piperidine
CID 2794688
N-(2-{1-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-4-piperidinyl}ethyl)acetamide
CID 24817555
2-Isopropyl-2,8-diazaspiro[4.5]decan-1-one
CID 45074064
1-acetyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501895
1-[2-(1-Piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 56717967
Piperidin-4-yl(pyrrolidin-1-yl)methanone
CID 1520212
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 16769668
N,N-bis(propan-2-yl)piperidine-4-carboxamide
CID 22959054
2-ethyl-N-(1-methyl(4-piperidyl))butanamide
CID 25236112
3-(Pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 57955738

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 123181827) is [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC1CNCCC1N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UBIDHZCAAMHFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-12-17-7-4-15(13)18-10-5-14(6-11-18)16(20)19-8-2-3-9-19/h13-15,17H,2-12H2,1H3.
What are the key properties of [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 279.43 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 123181827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).