(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone

C15H28N2O — CID 58394627

IUPAC(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-7-10-17(11-8-12)14(18)13-6-5-9-16(13)4/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyNVRTVLSHYSRYEV-ZDUSSCGKSA-N
MW252.40 g/mol
LogP2.37
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone

(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone (PubChem CID 58394627) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
PubChem CID58394627
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-7-10-17(11-8-12)14(18)13-6-5-9-16(13)4/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyNVRTVLSHYSRYEV-ZDUSSCGKSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 131915676
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
CID 110850171
(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 131086250
(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
CID 171417283
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 167894004
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110854043
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 136579931

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone (CID 58394627) is (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone is CN1CCC[C@H]1C(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The InChIKey is NVRTVLSHYSRYEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)12-7-10-17(11-8-12)14(18)13-6-5-9-16(13)4/h12-13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone has a molecular weight of 252.40 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 58394627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).