(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C16H29N3O — CID 61020224

IUPAC(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCC1CCCCN1C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H29N3O/c1-13-5-2-3-11-18(13)16(20)15-6-4-12-19(15)14-7-9-17-10-8-14/h13-15,17H,2-12H2,1H3
InChIKeyGAZFDPHUSLGJRI-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.60
Rot. Bonds2

About (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 61020224) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID61020224
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCC1CCCCN1C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H29N3O/c1-13-5-2-3-11-18(13)16(20)15-6-4-12-19(15)14-7-9-17-10-8-14/h13-15,17H,2-12H2,1H3
InChIKeyGAZFDPHUSLGJRI-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61159483
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61019778
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 61020224) is (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is CC1CCCCN1C(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is GAZFDPHUSLGJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-5-2-3-11-18(13)16(20)15-6-4-12-19(15)14-7-9-17-10-8-14/h13-15,17H,2-12H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 61020224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).