N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide

C19H26F3N3O — CID 29085480

IUPACN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1
InChIInChI=1S/C19H26F3N3O/c1-24-9-6-14(7-10-24)25-8-2-3-13(12-25)23-18(26)11-15-16(20)4-5-17(21)19(15)22/h4-5,13-14H,2-3,6-12H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyJRHIYVGDZKCKAN-CYBMUJFWSA-N
MW369.43 g/mol
LogP2.32
Rot. Bonds4

About N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide

N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide (PubChem CID 29085480) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
PubChem CID29085480
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1
InChIInChI=1S/C19H26F3N3O/c1-24-9-6-14(7-10-24)25-8-2-3-13(12-25)23-18(26)11-15-16(20)4-5-17(21)19(15)22/h4-5,13-14H,2-3,6-12H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyJRHIYVGDZKCKAN-CYBMUJFWSA-N
XLogP2.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
CID 28849709
4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide?
The IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide (CID 29085480) is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide.
What is the SMILES notation for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide?
The canonical SMILES for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide is CN1CCC(N2CCC[C@@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1.
What is the InChIKey of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide?
The InChIKey is JRHIYVGDZKCKAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-24-9-6-14(7-10-24)25-8-2-3-13(12-25)23-18(26)11-15-16(20)4-5-17(21)19(15)22/h4-5,13-14H,2-3,6-12H2,1H3,(H,23,26)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide?
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide is sourced from PubChem (CID 29085480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).