(2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide

C16H29N3O2 — CID 97027480

IUPAC(2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide
SMILESCCCC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C(N)=O
InChIInChI=1S/C16H29N3O2/c1-3-4-5-14(15(17)20)18-13-8-9-19(10-11(13)2)16(21)12-6-7-12/h11-14,18H,3-10H2,1-2H3,(H2,17,20)/t11-,13+,14-/m0/s1
InChIKeyVLLIJJKZNOCNLT-YUTCNCBUSA-N
MW295.43 g/mol
LogP1.27
Rot. Bonds7

About (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide

(2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide (PubChem CID 97027480) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide
PubChem CID97027480
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide
SMILESCCCC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C(N)=O
InChIInChI=1S/C16H29N3O2/c1-3-4-5-14(15(17)20)18-13-8-9-19(10-11(13)2)16(21)12-6-7-12/h11-14,18H,3-10H2,1-2H3,(H2,17,20)/t11-,13+,14-/m0/s1
InChIKeyVLLIJJKZNOCNLT-YUTCNCBUSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide?
The IUPAC name of (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide (CID 97027480) is (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide.
What is the SMILES notation for (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide?
The canonical SMILES for (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide is CCCC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C(N)=O.
What is the InChIKey of (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide?
The InChIKey is VLLIJJKZNOCNLT-YUTCNCBUSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-4-5-14(15(17)20)18-13-8-9-19(10-11(13)2)16(21)12-6-7-12/h11-14,18H,3-10H2,1-2H3,(H2,17,20)/t11-,13+,14-/m0/s1.
What are the key properties of (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide?
(2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide has a molecular weight of 295.43 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S,4R)-1-(cyclopropanecarbonyl)-3-methylpiperidin-4-yl]amino]hexanamide is sourced from PubChem (CID 97027480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).