N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide

C14H28N2O3 — CID 81043605

IUPACN-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
SMILESCOC(OC)C(C)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H28N2O3/c1-10(12-6-5-7-15-9-12)8-13(17)16-11(2)14(18-3)19-4/h10-12,14-15H,5-9H2,1-4H3,(H,16,17)
InChIKeyTVMABNUKDXMTNR-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.14
Rot. Bonds7

About N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide

N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide (PubChem CID 81043605) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
PubChem CID81043605
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
SMILESCOC(OC)C(C)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H28N2O3/c1-10(12-6-5-7-15-9-12)8-13(17)16-11(2)14(18-3)19-4/h10-12,14-15H,5-9H2,1-4H3,(H,16,17)
InChIKeyTVMABNUKDXMTNR-UHFFFAOYSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide 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

N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 106188309
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 81043922
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 115738511
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide (CID 81043605) is N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide is COC(OC)C(C)NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is TVMABNUKDXMTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(12-6-5-7-15-9-12)8-13(17)16-11(2)14(18-3)19-4/h10-12,14-15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 272.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81043605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).