[5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C21H38N4O — CID 163632018

IUPAC[5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1CNCCC1C1CCC(C(=O)N2CCC(N3CCCC3)CC2)NC1
InChIInChI=1S/C21H38N4O/c1-16-14-22-9-6-19(16)17-4-5-20(23-15-17)21(26)25-12-7-18(8-13-25)24-10-2-3-11-24/h16-20,22-23H,2-15H2,1H3
InChIKeyHWXWCSZLXXYNGH-UHFFFAOYSA-N
MW362.56 g/mol
LogP1.69
Rot. Bonds3

About [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 163632018) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID163632018
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC Name[5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1CNCCC1C1CCC(C(=O)N2CCC(N3CCCC3)CC2)NC1
InChIInChI=1S/C21H38N4O/c1-16-14-22-9-6-19(16)17-4-5-20(23-15-17)21(26)25-12-7-18(8-13-25)24-10-2-3-11-24/h16-20,22-23H,2-15H2,1H3
InChIKeyHWXWCSZLXXYNGH-UHFFFAOYSA-N
XLogP1.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 61243540
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
(5-methylpiperidin-2-yl)-pyrrolidin-1-ylmethanone
CID 19909692
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63167377
morpholin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842984
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 163632018) is [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CC1CNCCC1C1CCC(C(=O)N2CCC(N3CCCC3)CC2)NC1.
What is the InChIKey of [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HWXWCSZLXXYNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O/c1-16-14-22-9-6-19(16)17-4-5-20(23-15-17)21(26)25-12-7-18(8-13-25)24-10-2-3-11-24/h16-20,22-23H,2-15H2,1H3.
What are the key properties of [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 362.56 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylpiperidin-4-yl)piperidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 163632018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).