(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C16H20F3N5O2 — CID 51953423

IUPAC(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)cn2)CCN1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)11-2-1-6-24(9-11)15(26)22-12-3-4-13(21-8-12)23-7-5-20-14(25)10-23/h3-4,8,11H,1-2,5-7,9-10H2,(H,20,25)(H,22,26)/t11-/m1/s1
InChIKeyVHNOHDIRWLYKCF-LLVKDONJSA-N
MW371.36 g/mol
LogP1.82
Rot. Bonds2

About (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide

(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 51953423) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID51953423
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)cn2)CCN1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)11-2-1-6-24(9-11)15(26)22-12-3-4-13(21-8-12)23-7-5-20-14(25)10-23/h3-4,8,11H,1-2,5-7,9-10H2,(H,20,25)(H,22,26)/t11-/m1/s1
InChIKeyVHNOHDIRWLYKCF-LLVKDONJSA-N
XLogP1.82
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 34597005
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 56795798
1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 60579425
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119846038
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 51953423) is (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide is O=C1CN(c2ccc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)cn2)CCN1.
What is the InChIKey of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is VHNOHDIRWLYKCF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c17-16(18,19)11-2-1-6-24(9-11)15(26)22-12-3-4-13(21-8-12)23-7-5-20-14(25)10-23/h3-4,8,11H,1-2,5-7,9-10H2,(H,20,25)(H,22,26)/t11-/m1/s1.
What are the key properties of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 51953423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).