5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide

C22H40F2N4O3 — CID 146513543

IUPAC5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)C(CCC(C)NC(=O)CN1CCC(C(F)F)CC1)N1CCC(O)CC1
InChIInChI=1S/C22H40F2N4O3/c1-15(2)25-22(31)19(28-12-8-18(29)9-13-28)5-4-16(3)26-20(30)14-27-10-6-17(7-11-27)21(23)24/h15-19,21,29H,4-14H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyKKORIMVEYMSANG-UHFFFAOYSA-N
MW446.58 g/mol
LogP1.60
Rot. Bonds10

About 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide

5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide (PubChem CID 146513543) has the molecular formula C22H40F2N4O3 and a molecular weight of 446.58 g/mol. Its IUPAC name is 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide
PubChem CID146513543
Molecular FormulaC22H40F2N4O3
Molecular Weight446.58 g/mol
Exact Mass446.31
IUPAC Name5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)C(CCC(C)NC(=O)CN1CCC(C(F)F)CC1)N1CCC(O)CC1
InChIInChI=1S/C22H40F2N4O3/c1-15(2)25-22(31)19(28-12-8-18(29)9-13-28)5-4-16(3)26-20(30)14-27-10-6-17(7-11-27)21(23)24/h15-19,21,29H,4-14H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyKKORIMVEYMSANG-UHFFFAOYSA-N
XLogP1.60
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912
2-[4-(4-methoxybutan-2-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 175626378
2-[4-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215401
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
N-butan-2-yl-2-(3-ethyl-4-hydroxypiperidin-1-yl)acetamide
CID 114511157
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
N-heptan-2-yl-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898417
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide?
The IUPAC name of 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide (CID 146513543) is 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide.
What is the SMILES notation for 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide?
The canonical SMILES for 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide is CC(C)NC(=O)C(CCC(C)NC(=O)CN1CCC(C(F)F)CC1)N1CCC(O)CC1.
What is the InChIKey of 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide?
The InChIKey is KKORIMVEYMSANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40F2N4O3/c1-15(2)25-22(31)19(28-12-8-18(29)9-13-28)5-4-16(3)26-20(30)14-27-10-6-17(7-11-27)21(23)24/h15-19,21,29H,4-14H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide?
5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide has a molecular weight of 446.58 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide is sourced from PubChem (CID 146513543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).