[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone

C16H30N2O — CID 120636725

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1
InChIInChI=1S/C16H30N2O/c1-12(2)9-14-5-4-8-18(11-14)16(19)15-6-7-17-13(3)10-15/h12-15,17H,4-11H2,1-3H3/t13-,14?,15-/m0/s1
InChIKeyJYLFRTULVAZUEM-LWEDLAQUSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds3

About [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone

[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 120636725) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
PubChem CID120636725
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1
InChIInChI=1S/C16H30N2O/c1-12(2)9-14-5-4-8-18(11-14)16(19)15-6-7-17-13(3)10-15/h12-15,17H,4-11H2,1-3H3/t13-,14?,15-/m0/s1
InChIKeyJYLFRTULVAZUEM-LWEDLAQUSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120633122
(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807817
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 120631513
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[2-(3-methylbutyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120639137

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone (CID 120636725) is [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone is CC(C)CC1CCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is JYLFRTULVAZUEM-LWEDLAQUSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)9-14-5-4-8-18(11-14)16(19)15-6-7-17-13(3)10-15/h12-15,17H,4-11H2,1-3H3/t13-,14?,15-/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 266.43 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120636725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).