(3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide

C21H26F2N6O2 — CID 134209331

IUPAC(3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(CC2CC2)CC[C@H]1NC(=O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C21H26F2N6O2/c1-27(2)21(31)15-11-28(10-13-3-4-13)8-7-17(15)24-20(30)18-12-29(26-25-18)19-6-5-14(22)9-16(19)23/h5-6,9,12-13,15,17H,3-4,7-8,10-11H2,1-2H3,(H,24,30)/t15-,17-/m1/s1
InChIKeyKAXMWXAJMZVGLV-NVXWUHKLSA-N
MW432.48 g/mol
LogP1.46
Rot. Bonds6

About (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide

(3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 134209331) has the molecular formula C21H26F2N6O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID134209331
Molecular FormulaC21H26F2N6O2
Molecular Weight432.48 g/mol
Exact Mass432.21
IUPAC Name(3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(CC2CC2)CC[C@H]1NC(=O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C21H26F2N6O2/c1-27(2)21(31)15-11-28(10-13-3-4-13)8-7-17(15)24-20(30)18-12-29(26-25-18)19-6-5-14(22)9-16(19)23/h5-6,9,12-13,15,17H,3-4,7-8,10-11H2,1-2H3,(H,24,30)/t15-,17-/m1/s1
InChIKeyKAXMWXAJMZVGLV-NVXWUHKLSA-N
XLogP1.46
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide (CID 134209331) is (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)[C@@H]1CN(CC2CC2)CC[C@H]1NC(=O)c1cn(-c2ccc(F)cc2F)nn1.
What is the InChIKey of (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is KAXMWXAJMZVGLV-NVXWUHKLSA-N. The full InChI is InChI=1S/C21H26F2N6O2/c1-27(2)21(31)15-11-28(10-13-3-4-13)8-7-17(15)24-20(30)18-12-29(26-25-18)19-6-5-14(22)9-16(19)23/h5-6,9,12-13,15,17H,3-4,7-8,10-11H2,1-2H3,(H,24,30)/t15-,17-/m1/s1.
What are the key properties of (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide?
(3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 134209331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).