1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide

C14H27N3O3 — CID 173078415

IUPAC1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide
SMILESC[C@@H](CN1CCCCC1C(N)=O)N1CCC(O)C(O)C1
InChIInChI=1S/C14H27N3O3/c1-10(16-7-5-12(18)13(19)9-16)8-17-6-3-2-4-11(17)14(15)20/h10-13,18-19H,2-9H2,1H3,(H2,15,20)/t10-,11?,12?,13?/m0/s1
InChIKeyMFNQFZVFVZLHPU-DCNVRKPOSA-N
MW285.39 g/mol
LogP-0.86
Rot. Bonds4

About 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide

1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide (PubChem CID 173078415) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide
PubChem CID173078415
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide
SMILESC[C@@H](CN1CCCCC1C(N)=O)N1CCC(O)C(O)C1
InChIInChI=1S/C14H27N3O3/c1-10(16-7-5-12(18)13(19)9-16)8-17-6-3-2-4-11(17)14(15)20/h10-13,18-19H,2-9H2,1H3,(H2,15,20)/t10-,11?,12?,13?/m0/s1
InChIKeyMFNQFZVFVZLHPU-DCNVRKPOSA-N
XLogP-0.86
TPSA90.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide (CID 173078415) is 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide is C[C@@H](CN1CCCCC1C(N)=O)N1CCC(O)C(O)C1.
What is the InChIKey of 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide?
The InChIKey is MFNQFZVFVZLHPU-DCNVRKPOSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(16-7-5-12(18)13(19)9-16)8-17-6-3-2-4-11(17)14(15)20/h10-13,18-19H,2-9H2,1H3,(H2,15,20)/t10-,11?,12?,13?/m0/s1.
What are the key properties of 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide?
1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 173078415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).