4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide

C20H39N5O2 — CID 143064660

IUPAC4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide
SMILESC/C(N)=N\C(C)(CC(C)C)C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H39N5O2/c1-14(2)12-20(7,23-15(3)21)17(26)22-13-16-8-10-25(11-9-16)18(27)24-19(4,5)6/h14,16H,8-13H2,1-7H3,(H2,21,23)(H,22,26)(H,24,27)
InChIKeyHVEJQXHQNKZBJC-UHFFFAOYSA-N
MW381.57 g/mol
LogP2.50
Rot. Bonds6

About 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide

4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide (PubChem CID 143064660) has the molecular formula C20H39N5O2 and a molecular weight of 381.57 g/mol. Its IUPAC name is 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide
PubChem CID143064660
Molecular FormulaC20H39N5O2
Molecular Weight381.57 g/mol
Exact Mass381.31
IUPAC Name4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide
SMILESC/C(N)=N\C(C)(CC(C)C)C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H39N5O2/c1-14(2)12-20(7,23-15(3)21)17(26)22-13-16-8-10-25(11-9-16)18(27)24-19(4,5)6/h14,16H,8-13H2,1-7H3,(H2,21,23)(H,22,26)(H,24,27)
InChIKeyHVEJQXHQNKZBJC-UHFFFAOYSA-N
XLogP2.50
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[5-[4-(1-aminoethylideneamino)butyl]-5-methyl-3,6-dioxopiperazin-2-yl]butyl]ethanimidamide
CID 9928464
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 57844034
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 57844064
2-Amino-5-methyl-5-(2-methylpropyl)-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 57844128
4-[2-[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]ethyl]-N-butylpiperidine-1-carboxamide
CID 57844164
3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-butylpiperidine-1-carboxamide
CID 57844285
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-butylpiperidine-1-carboxamide
CID 57844341
2-Amino-5-methyl-3-[2-[1-(4-methylpentanoyl)piperidin-4-yl]ethyl]-5-(2-methylpropyl)imidazol-4-one
CID 57844427
2-Amino-5-methyl-3-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)imidazol-4-one
CID 57844492
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-tert-butylpiperidine-1-carboxamide
CID 57844529
4-[(2-amino-4,4-dibutyl-5-oxoimidazol-1-yl)methyl]-N-butylpiperidine-1-carboxamide
CID 57844555
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-cyclopentylpiperidine-1-carboxamide
CID 57844823

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
The IUPAC name of 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide (CID 143064660) is 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide is C/C(N)=N\C(C)(CC(C)C)C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
The InChIKey is HVEJQXHQNKZBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O2/c1-14(2)12-20(7,23-15(3)21)17(26)22-13-16-8-10-25(11-9-16)18(27)24-19(4,5)6/h14,16H,8-13H2,1-7H3,(H2,21,23)(H,22,26)(H,24,27).
What are the key properties of 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide has a molecular weight of 381.57 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 143064660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).