1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one

C16H32N2O — CID 62086138

IUPAC1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
SMILESCC(C)NCCCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)17-10-6-7-15(19)18-11-8-14(9-12-18)16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyVEILNEXWDDWZJL-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one

1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one (PubChem CID 62086138) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
PubChem CID62086138
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
SMILESCC(C)NCCCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)17-10-6-7-15(19)18-11-8-14(9-12-18)16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyVEILNEXWDDWZJL-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-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

1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 60849367
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
CID 60851819
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
ethyl 4-[4-(propan-2-ylamino)butanoyl]piperazine-1-carboxylate
CID 61041311
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one (CID 62086138) is 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one is CC(C)NCCCC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one?
The InChIKey is VEILNEXWDDWZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)17-10-6-7-15(19)18-11-8-14(9-12-18)16(3,4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one?
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one is sourced from PubChem (CID 62086138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).