2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide

C14H27N3O2 — CID 119426962

IUPAC2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)13(19)16-9-5-7-12(18)17-11-6-4-8-15-10-11/h11,15H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyAUMNIZPBAPRMQQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.80
Rot. Bonds5

About 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide

2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide (PubChem CID 119426962) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
PubChem CID119426962
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)13(19)16-9-5-7-12(18)17-11-6-4-8-15-10-11/h11,15H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyAUMNIZPBAPRMQQ-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide 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-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
CID 119428545
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 120676639
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55706617
N-piperidin-3-ylpropanamide
CID 3520588
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408
4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
CID 119426239
2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride
CID 119552565
3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
CID 104982434

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide (CID 119426962) is 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide is CC(C)(C)C(=O)NCCCC(=O)NC1CCCNC1.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide?
The InChIKey is AUMNIZPBAPRMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)13(19)16-9-5-7-12(18)17-11-6-4-8-15-10-11/h11,15H,4-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide?
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide is sourced from PubChem (CID 119426962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).