2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide

C22H44N6O2 — CID 162462835

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)(C)O)C1
InChIInChI=1S/C22H44N6O2/c1-13(2)14-8-15(22(3,4)30)10-17(9-14)26-20-18(19(24)29)11-25-21(27-20)28-7-5-6-16(23)12-28/h13-18,20-21,25-27,30H,5-12,23H2,1-4H3,(H2,24,29)/t14?,15?,16-,17?,18?,20?,21?/m0/s1
InChIKeyZWEVHDALVBPDAX-IKZHNVCYSA-N
MW424.63 g/mol
LogP0.11
Rot. Bonds6

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide (PubChem CID 162462835) has the molecular formula C22H44N6O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide
PubChem CID162462835
Molecular FormulaC22H44N6O2
Molecular Weight424.63 g/mol
Exact Mass424.35
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)(C)O)C1
InChIInChI=1S/C22H44N6O2/c1-13(2)14-8-15(22(3,4)30)10-17(9-14)26-20-18(19(24)29)11-25-21(27-20)28-7-5-6-16(23)12-28/h13-18,20-21,25-27,30H,5-12,23H2,1-4H3,(H2,24,29)/t14?,15?,16-,17?,18?,20?,21?/m0/s1
InChIKeyZWEVHDALVBPDAX-IKZHNVCYSA-N
XLogP0.11
TPSA128.67 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 50.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide (CID 162462835) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide is CC(C)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)(C)O)C1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The InChIKey is ZWEVHDALVBPDAX-IKZHNVCYSA-N. The full InChI is InChI=1S/C22H44N6O2/c1-13(2)14-8-15(22(3,4)30)10-17(9-14)26-20-18(19(24)29)11-25-21(27-20)28-7-5-6-16(23)12-28/h13-18,20-21,25-27,30H,5-12,23H2,1-4H3,(H2,24,29)/t14?,15?,16-,17?,18?,20?,21?/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide has a molecular weight of 424.63 g/mol, XLogP of 0.11, 6 rotatable bonds, 6 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-(2-hydroxypropan-2-yl)-5-propan-2-ylcyclohexyl]amino]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 162462835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).