[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone

C15H29N3O — CID 107445266

IUPAC[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)NCCNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)17-9-8-16-13-6-10-18(11-7-13)14(19)12-4-5-12/h12-13,16-17H,4-11H2,1-3H3
InChIKeyCNROBJKWLLWBIN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds5

About [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone

[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 107445266) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID107445266
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)NCCNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)17-9-8-16-13-6-10-18(11-7-13)14(19)12-4-5-12/h12-13,16-17H,4-11H2,1-3H3
InChIKeyCNROBJKWLLWBIN-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone 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

[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 134166280
cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
CID 63952287
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 61179355
cyclopropyl-[4-(pentan-3-ylamino)piperidin-1-yl]methanone
CID 43747893
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 168881748
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470
1-tert-butyl-3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 95051744

Frequently Asked Questions

What is the IUPAC name of [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone (CID 107445266) is [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone is CC(C)(C)NCCNC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is CNROBJKWLLWBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,3)17-9-8-16-13-6-10-18(11-7-13)14(19)12-4-5-12/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 267.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 107445266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).