(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide

C14H27N3O2 — CID 97026816

IUPAC(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide
SMILESCCC(=O)N1CC[C@H](N[C@@H](CC)C(N)=O)[C@@H](CC)C1
InChIInChI=1S/C14H27N3O2/c1-4-10-9-17(13(18)6-3)8-7-12(10)16-11(5-2)14(15)19/h10-12,16H,4-9H2,1-3H3,(H2,15,19)/t10-,11-,12-/m0/s1
InChIKeyXUZCYZWUDGZCRO-SRVKXCTJSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds6

About (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide

(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide (PubChem CID 97026816) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide
PubChem CID97026816
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide
SMILESCCC(=O)N1CC[C@H](N[C@@H](CC)C(N)=O)[C@@H](CC)C1
InChIInChI=1S/C14H27N3O2/c1-4-10-9-17(13(18)6-3)8-7-12(10)16-11(5-2)14(15)19/h10-12,16H,4-9H2,1-3H3,(H2,15,19)/t10-,11-,12-/m0/s1
InChIKeyXUZCYZWUDGZCRO-SRVKXCTJSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide 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-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide
CID 97026831
1-[(3R,4S)-3-ethyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 97026793
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
CID 114506515
1-[(3R,4S)-3-ethyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 124734052
2-[(2-methylcyclohexyl)amino]butanamide
CID 62901176
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
(2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide
CID 97027480
1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71871926
1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
CID 165476111
1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one
CID 89224237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide?
The IUPAC name of (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide (CID 97026816) is (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide.
What is the SMILES notation for (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide?
The canonical SMILES for (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide is CCC(=O)N1CC[C@H](N[C@@H](CC)C(N)=O)[C@@H](CC)C1.
What is the InChIKey of (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide?
The InChIKey is XUZCYZWUDGZCRO-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-10-9-17(13(18)6-3)8-7-12(10)16-11(5-2)14(15)19/h10-12,16H,4-9H2,1-3H3,(H2,15,19)/t10-,11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide?
(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide is sourced from PubChem (CID 97026816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).