4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide

C14H29N3O — CID 66430561

IUPAC4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide
SMILESCC1CC(C)CN(C(CN)CC(=O)NC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-10(2)16-14(18)6-13(7-15)17-8-11(3)5-12(4)9-17/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyORJMMEKWQKQTQU-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide

4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide (PubChem CID 66430561) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide
PubChem CID66430561
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide
SMILESCC1CC(C)CN(C(CN)CC(=O)NC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-10(2)16-14(18)6-13(7-15)17-8-11(3)5-12(4)9-17/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyORJMMEKWQKQTQU-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 66430565
4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide
CID 66431392
4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide
CID 66429956
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide
CID 66432421
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-amino-N-propan-2-ylbutanamide
CID 102725796
4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide
CID 114537377
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine
CID 124669022
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409641
2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 79994470
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide (CID 66430561) is 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide is CC1CC(C)CN(C(CN)CC(=O)NC(C)C)C1.
What is the InChIKey of 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is ORJMMEKWQKQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)16-14(18)6-13(7-15)17-8-11(3)5-12(4)9-17/h10-13H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide?
4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 66430561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).