(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide

C25H35N7O2 — CID 11190498

IUPAC(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide
SMILESNC(N)=N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1)C1CCCCC1
InChIInChI=1S/C25H35N7O2/c26-25(27)29-23(19-9-5-2-6-10-19)24(34)28-16-22(33)32-13-11-18(12-14-32)21-15-20(30-31-21)17-7-3-1-4-8-17/h1,3-4,7-8,15,18-19,23H,2,5-6,9-14,16H2,(H,28,34)(H,30,31)(H4,26,27,29)/t23-/m1/s1
InChIKeyFZWVIIDKIBNWGP-HSZRJFAPSA-N
MW465.60 g/mol
LogP2.12
Rot. Bonds7

About (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide

(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide (PubChem CID 11190498) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide
PubChem CID11190498
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide
SMILESNC(N)=N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1)C1CCCCC1
InChIInChI=1S/C25H35N7O2/c26-25(27)29-23(19-9-5-2-6-10-19)24(34)28-16-22(33)32-13-11-18(12-14-32)21-15-20(30-31-21)17-7-3-1-4-8-17/h1,3-4,7-8,15,18-19,23H,2,5-6,9-14,16H2,(H,28,34)(H,30,31)(H4,26,27,29)/t23-/m1/s1
InChIKeyFZWVIIDKIBNWGP-HSZRJFAPSA-N
XLogP2.12
TPSA142.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide (CID 11190498) is (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide is NC(N)=N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is FZWVIIDKIBNWGP-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H35N7O2/c26-25(27)29-23(19-9-5-2-6-10-19)24(34)28-16-22(33)32-13-11-18(12-14-32)21-15-20(30-31-21)17-7-3-1-4-8-17/h1,3-4,7-8,15,18-19,23H,2,5-6,9-14,16H2,(H,28,34)(H,30,31)(H4,26,27,29)/t23-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide?
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 11190498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).