1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide

C22H32N6O3 — CID 134804375

IUPAC1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)c1
InChIInChI=1S/C22H32N6O3/c1-25-13-18(23-14-25)21(30)24-17-5-7-26(8-6-17)22(31)27-10-15-9-16(12-27)19-3-2-4-20(29)28(19)11-15/h13-17,19H,2-12H2,1H3,(H,24,30)/t15?,16?,19-/m1/s1
InChIKeyRFJCUNMQEKXAPF-LADRWXRNSA-N
MW428.54 g/mol
LogP1.07
Rot. Bonds2

About 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide

1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide (PubChem CID 134804375) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide
PubChem CID134804375
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC Name1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)c1
InChIInChI=1S/C22H32N6O3/c1-25-13-18(23-14-25)21(30)24-17-5-7-26(8-6-17)22(31)27-10-15-9-16(12-27)19-3-2-4-20(29)28(19)11-15/h13-17,19H,2-12H2,1H3,(H,24,30)/t15?,16?,19-/m1/s1
InChIKeyRFJCUNMQEKXAPF-LADRWXRNSA-N
XLogP1.07
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide (CID 134804375) is 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide is Cn1cnc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)c1.
What is the InChIKey of 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide?
The InChIKey is RFJCUNMQEKXAPF-LADRWXRNSA-N. The full InChI is InChI=1S/C22H32N6O3/c1-25-13-18(23-14-25)21(30)24-17-5-7-26(8-6-17)22(31)27-10-15-9-16(12-27)19-3-2-4-20(29)28(19)11-15/h13-17,19H,2-12H2,1H3,(H,24,30)/t15?,16?,19-/m1/s1.
What are the key properties of 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide?
1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 134804375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).