2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide

C20H38N8O2 — CID 162462853

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCN1CCN(C2CCCC(NC3NC(N4CCC[C@H](N)C4)NCC3C(N)=O)C2)C1=O
InChIInChI=1S/C20H38N8O2/c1-26-8-9-28(20(26)30)15-6-2-5-14(10-15)24-18-16(17(22)29)11-23-19(25-18)27-7-3-4-13(21)12-27/h13-16,18-19,23-25H,2-12,21H2,1H3,(H2,22,29)/t13-,14?,15?,16?,18?,19?/m0/s1
InChIKeyIQLHYYAHRBRBCD-IHFGAHDLSA-N
MW422.58 g/mol
LogP-1.42
Rot. Bonds5

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide (PubChem CID 162462853) has the molecular formula C20H38N8O2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
PubChem CID162462853
Molecular FormulaC20H38N8O2
Molecular Weight422.58 g/mol
Exact Mass422.31
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCN1CCN(C2CCCC(NC3NC(N4CCC[C@H](N)C4)NCC3C(N)=O)C2)C1=O
InChIInChI=1S/C20H38N8O2/c1-26-8-9-28(20(26)30)15-6-2-5-14(10-15)24-18-16(17(22)29)11-23-19(25-18)27-7-3-4-13(21)12-27/h13-16,18-19,23-25H,2-12,21H2,1H3,(H2,22,29)/t13-,14?,15?,16?,18?,19?/m0/s1
InChIKeyIQLHYYAHRBRBCD-IHFGAHDLSA-N
XLogP-1.42
TPSA131.99 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide (CID 162462853) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide is CN1CCN(C2CCCC(NC3NC(N4CCC[C@H](N)C4)NCC3C(N)=O)C2)C1=O.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The InChIKey is IQLHYYAHRBRBCD-IHFGAHDLSA-N. The full InChI is InChI=1S/C20H38N8O2/c1-26-8-9-28(20(26)30)15-6-2-5-14(10-15)24-18-16(17(22)29)11-23-19(25-18)27-7-3-4-13(21)12-27/h13-16,18-19,23-25H,2-12,21H2,1H3,(H2,22,29)/t13-,14?,15?,16?,18?,19?/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide has a molecular weight of 422.58 g/mol, XLogP of -1.42, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 162462853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).