(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C21H29F2N3O — CID 95188167

IUPAC(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3c(F)cccc3F)CC2)C1
InChIInChI=1S/C21H29F2N3O/c22-19-4-1-5-20(23)18(19)14-25-11-8-17(9-12-25)26-10-2-3-15(13-26)21(27)24-16-6-7-16/h1,4-5,15-17H,2-3,6-14H2,(H,24,27)/t15-/m1/s1
InChIKeyCOQOYXKUBGUZGC-OAHLLOKOSA-N
MW377.48 g/mol
LogP2.92
Rot. Bonds5

About (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95188167) has the molecular formula C21H29F2N3O and a molecular weight of 377.48 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95188167
Molecular FormulaC21H29F2N3O
Molecular Weight377.48 g/mol
Exact Mass377.23
IUPAC Name(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3c(F)cccc3F)CC2)C1
InChIInChI=1S/C21H29F2N3O/c22-19-4-1-5-20(23)18(19)14-25-11-8-17(9-12-25)26-10-2-3-15(13-26)21(27)24-16-6-7-16/h1,4-5,15-17H,2-3,6-14H2,(H,24,27)/t15-/m1/s1
InChIKeyCOQOYXKUBGUZGC-OAHLLOKOSA-N
XLogP2.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95549285
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56739434
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924
(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 25295064
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
N-cyclopent-3-en-1-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873782

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 95188167) is (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3c(F)cccc3F)CC2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is COQOYXKUBGUZGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29F2N3O/c22-19-4-1-5-20(23)18(19)14-25-11-8-17(9-12-25)26-10-2-3-15(13-26)21(27)24-16-6-7-16/h1,4-5,15-17H,2-3,6-14H2,(H,24,27)/t15-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 377.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95188167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).