N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide

C11H20F2N2O3 — CID 114093580

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(O)C(F)F)CCNCC1
InChIInChI=1S/C11H20F2N2O3/c1-18-7-11(2-4-14-5-3-11)10(17)15-6-8(16)9(12)13/h8-9,14,16H,2-7H2,1H3,(H,15,17)
InChIKeyNVFLRHWXUJFWQN-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.26
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 114093580) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID114093580
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(O)C(F)F)CCNCC1
InChIInChI=1S/C11H20F2N2O3/c1-18-7-11(2-4-14-5-3-11)10(17)15-6-8(16)9(12)13/h8-9,14,16H,2-7H2,1H3,(H,15,17)
InChIKeyNVFLRHWXUJFWQN-UHFFFAOYSA-N
XLogP-0.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 114093580) is N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCC(O)C(F)F)CCNCC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is NVFLRHWXUJFWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c1-18-7-11(2-4-14-5-3-11)10(17)15-6-8(16)9(12)13/h8-9,14,16H,2-7H2,1H3,(H,15,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 266.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 114093580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).