2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one

C15H29N3O — CID 106637739

IUPAC2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCCN2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)14(19)18-9-6-12(7-10-18)17-11-13-5-4-8-16-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyMENDIRNDYNKDTN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds3

About 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 106637739) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID106637739
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCCN2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)14(19)18-9-6-12(7-10-18)17-11-13-5-4-8-16-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyMENDIRNDYNKDTN-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
CID 106637742
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111469282
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 79032608
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763
1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
CID 106637748
1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
CID 121498693
2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62339410

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one (CID 106637739) is 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(NCC2CCCN2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is MENDIRNDYNKDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,3)14(19)18-9-6-12(7-10-18)17-11-13-5-4-8-16-13/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 106637739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).