2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide

C24H48N6O — CID 162462870

IUPAC2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)(C)C1CC(NC2NC(N3CCCC(N)C3)NCC2C(N)=O)CC(C(C)(C)C)C1
InChIInChI=1S/C24H48N6O/c1-23(2,3)15-10-16(24(4,5)6)12-18(11-15)28-21-19(20(26)31)13-27-22(29-21)30-9-7-8-17(25)14-30/h15-19,21-22,27-29H,7-14,25H2,1-6H3,(H2,26,31)
InChIKeyVFBCSFMMFXASGT-UHFFFAOYSA-N
MW436.69 g/mol
LogP1.78
Rot. Bonds4

About 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide

2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide (PubChem CID 162462870) has the molecular formula C24H48N6O and a molecular weight of 436.69 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide
PubChem CID162462870
Molecular FormulaC24H48N6O
Molecular Weight436.69 g/mol
Exact Mass436.39
IUPAC Name2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)(C)C1CC(NC2NC(N3CCCC(N)C3)NCC2C(N)=O)CC(C(C)(C)C)C1
InChIInChI=1S/C24H48N6O/c1-23(2,3)15-10-16(24(4,5)6)12-18(11-15)28-21-19(20(26)31)13-27-22(29-21)30-9-7-8-17(25)14-30/h15-19,21-22,27-29H,7-14,25H2,1-6H3,(H2,26,31)
InChIKeyVFBCSFMMFXASGT-UHFFFAOYSA-N
XLogP1.78
TPSA108.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 51.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide (CID 162462870) is 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide is CC(C)(C)C1CC(NC2NC(N3CCCC(N)C3)NCC2C(N)=O)CC(C(C)(C)C)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide?
The InChIKey is VFBCSFMMFXASGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O/c1-23(2,3)15-10-16(24(4,5)6)12-18(11-15)28-21-19(20(26)31)13-27-22(29-21)30-9-7-8-17(25)14-30/h15-19,21-22,27-29H,7-14,25H2,1-6H3,(H2,26,31).
What are the key properties of 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide?
2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide has a molecular weight of 436.69 g/mol, XLogP of 1.78, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-4-[(3,5-ditert-butylcyclohexyl)amino]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 162462870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).